[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone

C37H33NO2 — CID 12582238

IUPAC[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone
SMILESCCN(CC)c1c(C)c(-c2ccccc2)c(-c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C37H33NO2/c1-4-38(5-2)35-26(3)31(27-18-10-6-11-19-27)32(28-20-12-7-13-21-28)33(36(39)29-22-14-8-15-23-29)34(35)37(40)30-24-16-9-17-25-30/h6-25H,4-5H2,1-3H3
InChIKeyQMFUZCQXUCXSCO-UHFFFAOYSA-N
MW523.68 g/mol
LogP8.64
Rot. Bonds9

About [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone

[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone (PubChem CID 12582238) has the molecular formula C37H33NO2 and a molecular weight of 523.68 g/mol. Its IUPAC name is [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone
PubChem CID12582238
Molecular FormulaC37H33NO2
Molecular Weight523.68 g/mol
Exact Mass523.25
IUPAC Name[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone
SMILESCCN(CC)c1c(C)c(-c2ccccc2)c(-c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C37H33NO2/c1-4-38(5-2)35-26(3)31(27-18-10-6-11-19-27)32(28-20-12-7-13-21-28)33(36(39)29-22-14-8-15-23-29)34(35)37(40)30-24-16-9-17-25-30/h6-25H,4-5H2,1-3H3
InChIKeyQMFUZCQXUCXSCO-UHFFFAOYSA-N
XLogP8.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-acetyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]ethanone
CID 12582237
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
CID 172846091
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
diphenylmethanone;propanal
CID 159329764
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone?
The IUPAC name of [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone (CID 12582238) is [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone.
What is the SMILES notation for [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone?
The canonical SMILES for [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone is CCN(CC)c1c(C)c(-c2ccccc2)c(-c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone?
The InChIKey is QMFUZCQXUCXSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33NO2/c1-4-38(5-2)35-26(3)31(27-18-10-6-11-19-27)32(28-20-12-7-13-21-28)33(36(39)29-22-14-8-15-23-29)34(35)37(40)30-24-16-9-17-25-30/h6-25H,4-5H2,1-3H3.
What are the key properties of [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone?
[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone has a molecular weight of 523.68 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone is sourced from PubChem (CID 12582238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).