Decidium
PubChem CID
129883
Structure
Molecular Formula
Synonyms
- Decidium diiodide
- 123048-04-4
- 3,8-Diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridium diiodide
- 4-Phenanthrenedecanaminium, 1,6-diamino-N,N,N-trimethyl-3-phenyl-, iodide, monohydriodide
- 10-(1,6-diamino-3-phenylphenanthren-4-yl)decyl-trimethylazanium;iodide;hydroiodide
Molecular Weight
737.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
10-(1,6-diamino-3-phenylphenanthren-4-yl)decyl-trimethylazanium;iodide;hydroiodide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C33H44N3.2HI/c1-36(2,3)22-14-9-7-5-4-6-8-13-17-28-30(25-15-11-10-12-16-25)24-32(35)29-21-19-26-18-20-27(34)23-31(26)33(28)29;;/h10-12,15-16,18-21,23-24H,4-9,13-14,17,22,34-35H2,1-3H3;2*1H/q+1;;/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
RJEYFBQMUHTEAX-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[N+](C)(C)CCCCCCCCCCC1=C2C(=C(C=C1C3=CC=CC=C3)N)C=CC4=C2C=C(C=C4)N.I.[I-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C33H45I2N3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
123048-04-4
- 3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridium diiodide
- decidium
- decidium diiodide
- Decidium diiodide
- 123048-04-4
- 3,8-Diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridium diiodide
- 4-Phenanthrenedecanaminium, 1,6-diamino-N,N,N-trimethyl-3-phenyl-, iodide, monohydriodide
- 10-(1,6-diamino-3-phenylphenanthren-4-yl)decyl-trimethylazanium;iodide;hydroiodide
- DTXSID30924361
- 10-(1,6-Diamino-3-phenylphenanthren-4-yl)-N,N,N-trimethyldecan-1-aminium iodide--hydrogen iodide (1/1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
737.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
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
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
737.17029 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
737.17029 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
52 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
38
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
621
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
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox10-(1,6-Diamino-3-phenylphenanthren-4-yl)-N,N,N-trimethyldecan-1-aminium iodide--hydrogen iodide (1/1/1)https://comptox.epa.gov/dashboard/DTXSID30924361CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Therapeutic Target Database (TTD)
- Wikidata10-(1,6-Diamino-3-phenylphenanthren-4-yl)-N,N,N-trimethyldecan-1-aminium iodide--hydrogen iodide (1/1/1)https://www.wikidata.org/wiki/Q82898515
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
CONTENTS