4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile

C30H21N3 — CID 35212524

IUPAC4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H21N3/c31-22-28-27(23-13-5-1-6-14-23)21-29(24-15-7-2-8-16-24)32-30(28)33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H
InChIKeyFVBNJWBOCWHOQM-UHFFFAOYSA-N
MW423.52 g/mol
LogP7.76
Rot. Bonds5

About 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile

4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile (PubChem CID 35212524) has the molecular formula C30H21N3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile
PubChem CID35212524
Molecular FormulaC30H21N3
Molecular Weight423.52 g/mol
Exact Mass423.17
IUPAC Name4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H21N3/c31-22-28-27(23-13-5-1-6-14-23)21-29(24-15-7-2-8-16-24)32-30(28)33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H
InChIKeyFVBNJWBOCWHOQM-UHFFFAOYSA-N
XLogP7.76
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 44522390
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
2-amino-4-[4-(diethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
CID 3360463
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]-N,N-diphenylpropanamide
CID 23744241
N'-(3-cyano-4,6-diphenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 171366783
2-(2-methylanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 35214913
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
2-(2-ethylsulfonylethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile
CID 3380391
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 3165371

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile (CID 35212524) is 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile?
The InChIKey is FVBNJWBOCWHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3/c31-22-28-27(23-13-5-1-6-14-23)21-29(24-15-7-2-8-16-24)32-30(28)33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H.
What are the key properties of 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile?
4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile has a molecular weight of 423.52 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 35212524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).