6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile

C25H18N2 — CID 12575122

IUPAC6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H18N2/c1-18-12-14-20(15-13-18)24-16-22(19-8-4-2-5-9-19)23(17-26)25(27-24)21-10-6-3-7-11-21/h2-16H,1H3
InChIKeyBMHFGKUPEDJZEB-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.26
Rot. Bonds3

About 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile

6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile (PubChem CID 12575122) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
PubChem CID12575122
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H18N2/c1-18-12-14-20(15-13-18)24-16-22(19-8-4-2-5-9-19)23(17-26)25(27-24)21-10-6-3-7-11-21/h2-16H,1H3
InChIKeyBMHFGKUPEDJZEB-UHFFFAOYSA-N
XLogP6.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
4-(4-tert-butylphenyl)-6-[4-[4-(4-tert-butylphenyl)-5-cyano-6-phenyl-2-pyridinyl]phenyl]-2-phenylpyridine-3-carbonitrile
CID 66676027
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
2-(cyanomethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 3125152
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
2-butylsulfinyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 2193876
6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 161477208
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
4-[4-(dimethylamino)phenyl]-2-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile
CID 101490789
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile (CID 12575122) is 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile?
The InChIKey is BMHFGKUPEDJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-18-12-14-20(15-13-18)24-16-22(19-8-4-2-5-9-19)23(17-26)25(27-24)21-10-6-3-7-11-21/h2-16H,1H3.
What are the key properties of 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile?
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile has a molecular weight of 346.43 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 12575122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).