[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone

C30H25NO — CID 134951360

IUPAC[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
SMILESCc1ccc(N2C(c3ccccc3)=C(C(=O)c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C30H25NO/c1-22-17-19-26(20-18-22)31-28(23-11-5-2-6-12-23)21-27(29(31)24-13-7-3-8-14-24)30(32)25-15-9-4-10-16-25/h2-20,28H,21H2,1H3
InChIKeyVIMSKGYWXLRDDF-UHFFFAOYSA-N
MW415.54 g/mol
LogP7.24
Rot. Bonds5

About [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone

[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone (PubChem CID 134951360) has the molecular formula C30H25NO and a molecular weight of 415.54 g/mol. Its IUPAC name is [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
PubChem CID134951360
Molecular FormulaC30H25NO
Molecular Weight415.54 g/mol
Exact Mass415.19
IUPAC Name[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
SMILESCc1ccc(N2C(c3ccccc3)=C(C(=O)c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C30H25NO/c1-22-17-19-26(20-18-22)31-28(23-11-5-2-6-12-23)21-27(29(31)24-13-7-3-8-14-24)30(32)25-15-9-4-10-16-25/h2-20,28H,21H2,1H3
InChIKeyVIMSKGYWXLRDDF-UHFFFAOYSA-N
XLogP7.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone 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

phenyl-(1,2,5-triphenyl-2,3-dihydropyrrol-4-yl)methanone
CID 134951356
[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
CID 164685207
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone
CID 44551442
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
CID 146164427
(5R)-5-methyl-1-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]imidazolidine-2,4-dione
CID 2470328
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
[1-(4-methylphenyl)-6,7-dihydro-5H-quinolin-8-yl]-phenylmethanone
CID 71324029
diphenylmethanone;ethane;toluene
CID 157406780

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone (CID 134951360) is [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone is Cc1ccc(N2C(c3ccccc3)=C(C(=O)c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
The InChIKey is VIMSKGYWXLRDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO/c1-22-17-19-26(20-18-22)31-28(23-11-5-2-6-12-23)21-27(29(31)24-13-7-3-8-14-24)30(32)25-15-9-4-10-16-25/h2-20,28H,21H2,1H3.
What are the key properties of [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
[1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone has a molecular weight of 415.54 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone is sourced from PubChem (CID 134951360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).