2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID
70065
Structure
Molecular Formula
Synonyms
- 852-38-0
- 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole
- 2-([1,1'-Biphenyl]-4-yl)-5-phenyl-1,3,4-oxadiazole
- 2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole
- 1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-phenyl-
Molecular Weight
298.3 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2024-12-28
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WMAXWOOEPJQXEB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C20H14N2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
59597-86-3
- 852-38-0
- 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole
- 2-([1,1'-Biphenyl]-4-yl)-5-phenyl-1,3,4-oxadiazole
- 2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole
- 1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-phenyl-
- 2-([1,1-Biphenyl]-4-yl)-5-phenyl-1,3,4-oxadiazole
- 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-
- 2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazole
- 2-Phenyl-5-(4-biphenylyl)-1,3,4-oxadiazole
- US7R82695E
- NSC-24858
- 1,3,4-Oxadiazole, 2-(1,1'-biphenyl)-4-yl-5-phenyl-
- 2-{[1,1'-BIPHENYL]-4-YL}-5-PHENYL-1,3,4-OXADIAZOLE
- 2-(biphenyl-4-yl)-5-phenyl-1,3,4-oxadiazole
- EINECS 212-712-0
- MFCD00003100
- NSC 24858
- SCHEMBL46424
- UNII-US7R82695E
- DTXSID3061213
- WMAXWOOEPJQXEB-UHFFFAOYSA-
- BCP11407
- NSC24858
- AKOS003575205
- 2-Phenyl-5-diphenyl-1,3,4-oxadiazol
- AS-68398
- DA-59982
- HY-59021
- CS-0006544
- NS00038871
- 1,4-Oxadiazole, 2-(4-biphenylyl)-5-phenyl-
- 5-Phenyl-2-(4-biphenylyl)-1,3,4-oxadiazole
- E77615
- 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole, 98%
- 1,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-
- 2-[1,1'-Biphenyl]-4-yl-5-phenyl-1,3,4-oxadiazole #
- 2-(1,1'-BIPHENYL)-4-YL-5-PHENYL-1,3,4-OXADIAZOLE
- InChI=1/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
298.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
298.110613074 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
298.110613074 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
38.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
355
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
White crystalline solid; [Aldrich MSDS]
Dyes -> Other Dyes
1D NMR Spectra
NIST Number
236123
Library
Main library
Total Peaks
95
m/z Top Peak
298
m/z 2nd Highest
181
m/z 3rd Highest
241
Thumbnail
NIST Number
76276
Library
Replicate library
Total Peaks
21
m/z Top Peak
181
m/z 2nd Highest
298
m/z 3rd Highest
105
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Sources/Uses
Suitable as a laser dye; [Santa Cruz Biotechnology, Inc.]
EPA TSCA Commercial Activity Status
1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-: ACTIVE
May cause irritation; [Aldrich MSDS] See Biphenyl.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WMAXWOOEPJQXEB-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://commonchemistry.cas.org/detail?cas_rn=852-38-0
- ChemIDplus2-Biphenyl-4-yl-5-phenyl-1,3,4-oxadiazolehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000852380ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA Chemicals under the TSCA1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-https://comptox.epa.gov/dashboard/DTXSID3061213CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice2-biphenyl-4-yl-5-phenyl-1,3,4-oxadiazolehttps://echa.europa.eu/substance-information/-/substanceinfo/100.011.557
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking2-BIPHENYL-4-YL-5-PHENYL-1,3,4-OXADIAZOLEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/US7R82695E
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/About1,3,4-Oxadiazole, 2-(1,1'-biphenyl)-4-yl-5-phenyl-https://haz-map.com/Agents/10291
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-phenyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-[1,1'-Biphenyl]-4-yl-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/3KvC37ZUrw2-(p-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLEhttps://spectrabase.com/spectrum/FZUZfmxLyrA2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/7oaAHgIfZJd2-(4-biphenyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/LKXpWbuG4Bw2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/ENoVt1iBV622-[(4-PHENYL)-PHENYL]-5-PHENYL-1,3,4-OXADIAZOLEhttps://spectrabase.com/spectrum/9mwxdogPToM2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/4PIh2GLvAJ42-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/1LHcliBReRH2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://spectrabase.com/spectrum/4QzxDbAbvpb
- NMRShiftDB
- Springer Nature
- SpringerMaterials2-Phenyl-5-diphenyl-1,3,4-oxadiazolhttps://materials.springer.com/substanceprofile/docs/smsid_vnulwpwqcobcnvum
- The Cambridge Structural Database
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazolehttps://www.wikidata.org/wiki/Q72443851
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388382143https://pubchem.ncbi.nlm.nih.gov/substance/388382143
CONTENTS