2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde

C21H14ClNO — CID 5188805

IUPAC2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Cl)[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C21H14ClNO/c22-19-9-5-4-8-16(19)21-18(13-24)17-12-15(10-11-20(17)23-21)14-6-2-1-3-7-14/h1-13,23H
InChIKeyFVLFGQZXOCWHLB-UHFFFAOYSA-N
MW331.80 g/mol
LogP5.97
Rot. Bonds3

About 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde

2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde (PubChem CID 5188805) has the molecular formula C21H14ClNO and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
PubChem CID5188805
Molecular FormulaC21H14ClNO
Molecular Weight331.80 g/mol
Exact Mass331.08
IUPAC Name2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Cl)[nH]c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C21H14ClNO/c22-19-9-5-4-8-16(19)21-18(13-24)17-12-15(10-11-20(17)23-21)14-6-2-1-3-7-14/h1-13,23H
InChIKeyFVLFGQZXOCWHLB-UHFFFAOYSA-N
XLogP5.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.80
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3538844
2-cyclopentyl-5-phenyl-1H-indole-3-carbaldehyde
CID 3828993
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 4683666
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3822875
2-(2-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3790476

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde (CID 5188805) is 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2Cl)[nH]c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is FVLFGQZXOCWHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO/c22-19-9-5-4-8-16(19)21-18(13-24)17-12-15(10-11-20(17)23-21)14-6-2-1-3-7-14/h1-13,23H.
What are the key properties of 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde?
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 331.80 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 5188805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).