4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile

C27H18N2O2 — CID 102576393

IUPAC4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile
SMILESCC(=O)c1ccc(-c2ccnc(-c3ccccc3)c2C(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C27H18N2O2/c1-18(30)20-11-13-21(14-12-20)24-15-16-29-26(22-5-3-2-4-6-22)25(24)27(31)23-9-7-19(17-28)8-10-23/h2-16H,1H3
InChIKeyYMPGVLMYEVUJCJ-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.72
Rot. Bonds5

About 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile

4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile (PubChem CID 102576393) has the molecular formula C27H18N2O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile
PubChem CID102576393
Molecular FormulaC27H18N2O2
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC Name4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile
SMILESCC(=O)c1ccc(-c2ccnc(-c3ccccc3)c2C(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C27H18N2O2/c1-18(30)20-11-13-21(14-12-20)24-15-16-29-26(22-5-3-2-4-6-22)25(24)27(31)23-9-7-19(17-28)8-10-23/h2-16H,1H3
InChIKeyYMPGVLMYEVUJCJ-UHFFFAOYSA-N
XLogP5.72
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile 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

1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone
CID 102576391
1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
2,4-diphenylpyridine-3-carboxamide
CID 21157292
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474977
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-(3-phenylpyrazin-2-yl)oxybenzonitrile
CID 69174651
methyl 2-benzoyl-4-phenylpyridine-3-carboxylate
CID 67695939

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile?
The IUPAC name of 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile (CID 102576393) is 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile.
What is the SMILES notation for 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile?
The canonical SMILES for 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile is CC(=O)c1ccc(-c2ccnc(-c3ccccc3)c2C(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile?
The InChIKey is YMPGVLMYEVUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O2/c1-18(30)20-11-13-21(14-12-20)24-15-16-29-26(22-5-3-2-4-6-22)25(24)27(31)23-9-7-19(17-28)8-10-23/h2-16H,1H3.
What are the key properties of 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile?
4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile has a molecular weight of 402.45 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile is sourced from PubChem (CID 102576393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).