2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride

C35H25Cl3N5V-3 — CID 173244045

IUPAC2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride
SMILES[Cl-].[Cl-].[Cl-].[V].c1ccc(C2=NC(c3cccc(C4=NC(c5ccccc5)C(c5ccccc5)=N4)n3)=NC2c2ccccc2)cc1
InChIInChI=1S/C35H25N5.3ClH.V/c1-5-14-24(15-6-1)30-31(25-16-7-2-8-17-25)38-34(37-30)28-22-13-23-29(36-28)35-39-32(26-18-9-3-10-19-26)33(40-35)27-20-11-4-12-21-27;;;;/h1-23,30,32H;3*1H;/p-3
InChIKeyOZUBAUZSFSTLQJ-UHFFFAOYSA-K
MW672.92 g/mol
LogP-1.93
Rot. Bonds6

About 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride

2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride (PubChem CID 173244045) has the molecular formula C35H25Cl3N5V-3 and a molecular weight of 672.92 g/mol. Its IUPAC name is 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride.

Molecular Properties

Compound Name2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride
PubChem CID173244045
Molecular FormulaC35H25Cl3N5V-3
Molecular Weight672.92 g/mol
Exact Mass671.06
IUPAC Name2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride
SMILES[Cl-].[Cl-].[Cl-].[V].c1ccc(C2=NC(c3cccc(C4=NC(c5ccccc5)C(c5ccccc5)=N4)n3)=NC2c2ccccc2)cc1
InChIInChI=1S/C35H25N5.3ClH.V/c1-5-14-24(15-6-1)30-31(25-16-7-2-8-17-25)38-34(37-30)28-22-13-23-29(36-28)35-39-32(26-18-9-3-10-19-26)33(40-35)27-20-11-4-12-21-27;;;;/h1-23,30,32H;3*1H;/p-3
InChIKeyOZUBAUZSFSTLQJ-UHFFFAOYSA-K
XLogP-1.93
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.92
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90732966
1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride?
The IUPAC name of 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride (CID 173244045) is 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride.
What is the SMILES notation for 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride?
The canonical SMILES for 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride is [Cl-].[Cl-].[Cl-].[V].c1ccc(C2=NC(c3cccc(C4=NC(c5ccccc5)C(c5ccccc5)=N4)n3)=NC2c2ccccc2)cc1.
What is the InChIKey of 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride?
The InChIKey is OZUBAUZSFSTLQJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C35H25N5.3ClH.V/c1-5-14-24(15-6-1)30-31(25-16-7-2-8-17-25)38-34(37-30)28-22-13-23-29(36-28)35-39-32(26-18-9-3-10-19-26)33(40-35)27-20-11-4-12-21-27;;;;/h1-23,30,32H;3*1H;/p-3.
What are the key properties of 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride?
2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride has a molecular weight of 672.92 g/mol, XLogP of -1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride is sourced from PubChem (CID 173244045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).