2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde

C22H14F3NO — CID 3538844

IUPAC2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C22H14F3NO/c23-22(24,25)17-10-11-20-18(12-17)19(13-27)21(26-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26H
InChIKeyXSDHMWAWUPNZLM-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.33
Rot. Bonds3

About 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde

2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde (PubChem CID 3538844) has the molecular formula C22H14F3NO and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
PubChem CID3538844
Molecular FormulaC22H14F3NO
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C22H14F3NO/c23-22(24,25)17-10-11-20-18(12-17)19(13-27)21(26-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26H
InChIKeyXSDHMWAWUPNZLM-UHFFFAOYSA-N
XLogP6.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.33
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

2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
2-chloro-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 82383642
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
3-formyl-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 3710473
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450
2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 4683666
4,6-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-indole-3-carbaldehyde
CID 3730132
3-[3,5-bis(trifluoromethyl)phenoxy]-2-(4-phenylphenyl)-1H-indole
CID 151105691
2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3505439
4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinoline-3,8-dicarbaldehyde
CID 88871646

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde (CID 3538844) is 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
The InChIKey is XSDHMWAWUPNZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO/c23-22(24,25)17-10-11-20-18(12-17)19(13-27)21(26-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26H.
What are the key properties of 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde?
2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde has a molecular weight of 365.35 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3538844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).