2,3-diphenyl-1H-indole-7-carboxylic acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.

2-phenylindoles

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Indoles

Calculated Property

kind Value Source
logP 5.01 ALOGPS
logS -5.7 ALOGPS
Water Solubility 6.92e-04 g/l ALOGPS
logP 4.94 ChemAxon
IUPAC Name 2,3-diphenyl-1H-indole-7-carboxylic acid ChemAxon
Traditional IUPAC Name 2,3-diphenyl-1H-indole-7-carboxylic acid ChemAxon
Molecular Weight 313.3493 ChemAxon
Monoisotopic Weight 313.110278729 ChemAxon
SMILES OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C21H15NO2 ChemAxon
InChI InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24) ChemAxon
InChIKey InChIKey=OLUDUXWVPIEHDA-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 53.09 ChemAxon
Refractivity 94.55 ChemAxon
Polarizability 34.39 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 3.1 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Serine/threonine-protein kinase pim-1 : in Human