2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine

C36H25N3 — CID 131983224

IUPAC2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc4c(-c5ccccc5)nccc4n3-c3ccccc3)c2)cc1
InChIInChI=1S/C36H25N3/c1-5-13-26(14-6-1)29-23-30(27-15-7-2-8-16-27)25-31(24-29)36-38-35-33(39(36)32-19-11-4-12-20-32)21-22-37-34(35)28-17-9-3-10-18-28/h1-25H
InChIKeyWVWVOXDQWAPHEN-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.09
Rot. Bonds5

About 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine

2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine (PubChem CID 131983224) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine
PubChem CID131983224
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc4c(-c5ccccc5)nccc4n3-c3ccccc3)c2)cc1
InChIInChI=1S/C36H25N3/c1-5-13-26(14-6-1)29-23-30(27-15-7-2-8-16-27)25-31(24-29)36-38-35-33(39(36)32-19-11-4-12-20-32)21-22-37-34(35)28-17-9-3-10-18-28/h1-25H
InChIKeyWVWVOXDQWAPHEN-UHFFFAOYSA-N
XLogP9.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine (CID 131983224) is 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4c(-c5ccccc5)nccc4n3-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine?
The InChIKey is WVWVOXDQWAPHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-5-13-26(14-6-1)29-23-30(27-15-7-2-8-16-27)25-31(24-29)36-38-35-33(39(36)32-19-11-4-12-20-32)21-22-37-34(35)28-17-9-3-10-18-28/h1-25H.
What are the key properties of 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine?
2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine has a molecular weight of 499.62 g/mol, XLogP of 9.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine is sourced from PubChem (CID 131983224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).