1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde

C23H16ClNO — CID 4767660

IUPAC1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C23H16ClNO/c24-20-12-7-13-21(15-20)25-22(17-8-3-1-4-9-17)14-19(16-26)23(25)18-10-5-2-6-11-18/h1-16H
InChIKeyKBDFUUXHABCIPK-UHFFFAOYSA-N
MW357.84 g/mol
LogP6.28
Rot. Bonds4

About 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde

1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde (PubChem CID 4767660) has the molecular formula C23H16ClNO and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde
PubChem CID4767660
Molecular FormulaC23H16ClNO
Molecular Weight357.84 g/mol
Exact Mass357.09
IUPAC Name1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1ccccc1
InChIInChI=1S/C23H16ClNO/c24-20-12-7-13-21(15-20)25-22(17-8-3-1-4-9-17)14-19(16-26)23(25)18-10-5-2-6-11-18/h1-16H
InChIKeyKBDFUUXHABCIPK-UHFFFAOYSA-N
XLogP6.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde 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

1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2785416
1,2-diphenyl-1H-indole-3-carbaldehyde
CID 121813
(1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)methanone
CID 44570768
1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde
CID 880128
2-chloro-1-phenyl-1H-indole-3-carbaldehyde
CID 314793
Benzophenone, 2-chloro-4-(2,5-dimethyl-1-pyrrolyl)-4'-methyl-
CID 3069797
5-(4-chlorophenyl)-N-ethoxy-1-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 42665871
2-(4-Chlorophenyl)-1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 5246684
1-(2,3-dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 880244
2-Chloro-6-phenylisonicotinaldehyde
CID 53433234
2-Chloro-6-(4-methylphenyl)isonicotinaldehyde
CID 90486424
5-Chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde
CID 102169246

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde (CID 4767660) is 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde is O=Cc1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1-c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde?
The InChIKey is KBDFUUXHABCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO/c24-20-12-7-13-21(15-20)25-22(17-8-3-1-4-9-17)14-19(16-26)23(25)18-10-5-2-6-11-18/h1-16H.
What are the key properties of 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde?
1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde has a molecular weight of 357.84 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,5-diphenylpyrrole-3-carbaldehyde is sourced from PubChem (CID 4767660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).