Benzo(A)Phenazine
PubChem CID
136045
Structure
Molecular Formula
Synonyms
- Benzo[a]phenazine
- Benzo(a)phenazine
- 225-61-6
- DTXSID00177024
- NSC 15305
Molecular Weight
230.26 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
benzo[a]phenazine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C16H10N2/c1-2-6-12-11(5-1)9-10-15-16(12)18-14-8-4-3-7-13(14)17-15/h1-10H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
SEXRCKWGFSXUOO-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C2C(=C1)C=CC3=NC4=CC=CC=C4N=C32
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H10N2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
225-61-6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
230.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
3.9
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
230.084398327 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
230.084398327 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
25.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
303
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
NIST Number
111193
Library
Main library
Total Peaks
33
m/z Top Peak
230
m/z 2nd Highest
229
m/z 3rd Highest
231
Thumbnail
NIST Number
140280
Library
Replicate library
Total Peaks
54
m/z Top Peak
230
m/z 2nd Highest
229
m/z 3rd Highest
231
Thumbnail
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SEXRCKWGFSXUOO-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusChemIDplus 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 DSSToxBenzo(a)phenazinehttps://comptox.epa.gov/dashboard/DTXSID00177024
- 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-lawBenzo(a)phenazinehttp://www.nist.gov/srd/nist1a.cfm
- Springer Nature
- 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/
- WikidataBenzo(a)phenazinehttps://www.wikidata.org/wiki/Q83047351
- Wiley
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388461921https://pubchem.ncbi.nlm.nih.gov/substance/388461921
CONTENTS