[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone

C33H27NO2 — CID 16739117

IUPAC[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone
SMILESCc1ccccc1C1C(C(=O)c2ccccc2)=CN(Cc2ccccc2)C=C1C(=O)c1ccccc1
InChIInChI=1S/C33H27NO2/c1-24-13-11-12-20-28(24)31-29(32(35)26-16-7-3-8-17-26)22-34(21-25-14-5-2-6-15-25)23-30(31)33(36)27-18-9-4-10-19-27/h2-20,22-23,31H,21H2,1H3
InChIKeyXUKNEMJFWBPSPR-UHFFFAOYSA-N
MW469.58 g/mol
LogP7.13
Rot. Bonds7

About [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone

[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone (PubChem CID 16739117) has the molecular formula C33H27NO2 and a molecular weight of 469.58 g/mol. Its IUPAC name is [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone
PubChem CID16739117
Molecular FormulaC33H27NO2
Molecular Weight469.58 g/mol
Exact Mass469.20
IUPAC Name[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone
SMILESCc1ccccc1C1C(C(=O)c2ccccc2)=CN(Cc2ccccc2)C=C1C(=O)c1ccccc1
InChIInChI=1S/C33H27NO2/c1-24-13-11-12-20-28(24)31-29(32(35)26-16-7-3-8-17-26)22-34(21-25-14-5-2-6-15-25)23-30(31)33(36)27-18-9-4-10-19-27/h2-20,22-23,31H,21H2,1H3
InChIKeyXUKNEMJFWBPSPR-UHFFFAOYSA-N
XLogP7.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3,5-dibenzoyl-4-(2-methylphenyl)-4H-pyridin-1-yl]acetate
CID 16738913
1-benzyl-2,6-dimethyl-4-(2-methylphenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 67938081
1-[5-acetyl-1-benzyl-4-(2-nitrophenyl)-4H-pyridin-3-yl]ethanone
CID 1091254
[5-benzoyl-1-(2-hydroxyethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyridin-3-yl]-phenylmethanone
CID 16739113
2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]acetamide
CID 140517043
[5-benzoyl-4-(2,5-dichlorophenyl)-1-(2-hydroxyethyl)-4H-pyridin-3-yl]-phenylmethanone
CID 16738946
2-[3,5-dibenzoyl-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]-N,N-dimethylacetamide
CID 69411201
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
bis[4-[5-benzoyl-4-(2-chlorophenyl)-1-(2-hydroxyethyl)-4H-pyridin-3-yl]phenyl]methanone
CID 91382832
1-benzyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylic acid
CID 155514644
(1-benzylpyrrol-3-yl)-phenylmethanone
CID 134907398
methyl 1-benzyl-4-naphthalen-1-yl-4H-pyridine-3-carboxylate
CID 71508599

Frequently Asked Questions

What is the IUPAC name of [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone?
The IUPAC name of [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone (CID 16739117) is [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone.
What is the SMILES notation for [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone?
The canonical SMILES for [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone is Cc1ccccc1C1C(C(=O)c2ccccc2)=CN(Cc2ccccc2)C=C1C(=O)c1ccccc1.
What is the InChIKey of [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone?
The InChIKey is XUKNEMJFWBPSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO2/c1-24-13-11-12-20-28(24)31-29(32(35)26-16-7-3-8-17-26)22-34(21-25-14-5-2-6-15-25)23-30(31)33(36)27-18-9-4-10-19-27/h2-20,22-23,31H,21H2,1H3.
What are the key properties of [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone?
[5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone has a molecular weight of 469.58 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzoyl-1-benzyl-4-(2-methylphenyl)-4H-pyridin-3-yl]-phenylmethanone is sourced from PubChem (CID 16739117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).