1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone

C30H24N2O2 — CID 135225657

IUPAC1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1c[nH]c(-c2cccc(-c3cc(-c4ccccc4C(C)=O)c[nH]3)c2)c1
InChIInChI=1S/C30H24N2O2/c1-19(33)25-10-3-5-12-27(25)23-15-29(31-17-23)21-8-7-9-22(14-21)30-16-24(18-32-30)28-13-6-4-11-26(28)20(2)34/h3-18,31-32H,1-2H3
InChIKeyDKBMSYKRCPWUDH-UHFFFAOYSA-N
MW444.53 g/mol
LogP7.42
Rot. Bonds6

About 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone

1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone (PubChem CID 135225657) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
PubChem CID135225657
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1c[nH]c(-c2cccc(-c3cc(-c4ccccc4C(C)=O)c[nH]3)c2)c1
InChIInChI=1S/C30H24N2O2/c1-19(33)25-10-3-5-12-27(25)23-15-29(31-17-23)21-8-7-9-22(14-21)30-16-24(18-32-30)28-13-6-4-11-26(28)20(2)34/h3-18,31-32H,1-2H3
InChIKeyDKBMSYKRCPWUDH-UHFFFAOYSA-N
XLogP7.42
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone 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

N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
CID 118529854
1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 118529858
5-(2-acetylphenyl)-1H-pyrimidin-2-one
CID 105467489
2-(3-acetylphenyl)benzoic acid
CID 2756265
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[2-[4-[4-(2-acetylphenyl)-N-[4-(2-acetylphenyl)phenyl]anilino]phenyl]phenyl]ethanone
CID 122435887
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
1-azulen-2-ylethanone
CID 15255141
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
1-[2-(3-amino-4-sulfanylphenyl)phenyl]ethanone
CID 139776798

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone (CID 135225657) is 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1c[nH]c(-c2cccc(-c3cc(-c4ccccc4C(C)=O)c[nH]3)c2)c1.
What is the InChIKey of 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
The InChIKey is DKBMSYKRCPWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c1-19(33)25-10-3-5-12-27(25)23-15-29(31-17-23)21-8-7-9-22(14-21)30-16-24(18-32-30)28-13-6-4-11-26(28)20(2)34/h3-18,31-32H,1-2H3.
What are the key properties of 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone?
1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone has a molecular weight of 444.53 g/mol, XLogP of 7.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone is sourced from PubChem (CID 135225657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).