[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C41H32F4N8OsP2+2 — CID 58788806

IUPAC[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1n[n-]c(-c2ccccn2)n1.[Os+2]
InChIInChI=1S/C26H22P2.C8H4F3N4.C7H4FN4.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;/h1-22H;1-4H;1-4H;/q;2*-1;+2/p+2/b22-21-;;;
InChIKeyVVXHGDCQCXKFPJ-FAIYXUOWSA-P
MW964.93 g/mol
LogP7.34
Rot. Bonds8

About [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 58788806) has the molecular formula C41H32F4N8OsP2+2 and a molecular weight of 964.93 g/mol. Its IUPAC name is [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Name[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID58788806
Molecular FormulaC41H32F4N8OsP2+2
Molecular Weight964.93 g/mol
Exact Mass966.18
IUPAC Name[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESC(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1n[n-]c(-c2ccccn2)n1.[Os+2]
InChIInChI=1S/C26H22P2.C8H4F3N4.C7H4FN4.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;/h1-22H;1-4H;1-4H;/q;2*-1;+2/p+2/b22-21-;;;
InChIKeyVVXHGDCQCXKFPJ-FAIYXUOWSA-P
XLogP7.34
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.93
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The IUPAC name of [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 58788806) is [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.
What is the SMILES notation for [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The canonical SMILES for [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is C(=C\[PH+](c1ccccc1)c1ccccc1)\[PH+](c1ccccc1)c1ccccc1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1n[n-]c(-c2ccccn2)n1.[Os+2].
What is the InChIKey of [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is VVXHGDCQCXKFPJ-FAIYXUOWSA-P. The full InChI is InChI=1S/C26H22P2.C8H4F3N4.C7H4FN4.Os/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;/h1-22H;1-4H;1-4H;/q;2*-1;+2/p+2/b22-21-;;;.
What are the key properties of [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 964.93 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 58788806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).