(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone

C31H26N2O — CID 13147310

IUPAC(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)c(-c2ccccc2)c(Cc2ccccc2)n1Nc1ccccc1
InChIInChI=1S/C31H26N2O/c1-23-29(31(34)26-18-10-4-11-19-26)30(25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)33(23)32-27-20-12-5-13-21-27/h2-21,32H,22H2,1H3
InChIKeyURYGXRBYSASWJC-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.16
Rot. Bonds7

About (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone

(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone (PubChem CID 13147310) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
PubChem CID13147310
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)c(-c2ccccc2)c(Cc2ccccc2)n1Nc1ccccc1
InChIInChI=1S/C31H26N2O/c1-23-29(31(34)26-18-10-4-11-19-26)30(25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)33(23)32-27-20-12-5-13-21-27/h2-21,32H,22H2,1H3
InChIKeyURYGXRBYSASWJC-UHFFFAOYSA-N
XLogP7.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
CID 132567633
[5-benzyl-4-(4-chlorophenyl)-2-methylsulfanyl-1-phenylpyrrol-3-yl]-phenylmethanone
CID 132530342
methyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982755
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
(5-benzyl-1,4,6-triphenyl-2-sulfanylidene-3-pyridinyl)-phenylmethanone
CID 4128472
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
tert-butyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982924
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
(4-amino-2,3-diphenylphenyl)-phenylmethanone
CID 70223924
1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone
CID 101402075

Frequently Asked Questions

What is the IUPAC name of (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
The IUPAC name of (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone (CID 13147310) is (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)c(-c2ccccc2)c(Cc2ccccc2)n1Nc1ccccc1.
What is the InChIKey of (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
The InChIKey is URYGXRBYSASWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c1-23-29(31(34)26-18-10-4-11-19-26)30(25-16-8-3-9-17-25)28(22-24-14-6-2-7-15-24)33(23)32-27-20-12-5-13-21-27/h2-21,32H,22H2,1H3.
What are the key properties of (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone has a molecular weight of 442.56 g/mol, XLogP of 7.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 13147310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).