Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.

Phenylphosphines and derivatives

Organic compounds


Benzene and substituted derivatives

Phenylphosphines and derivatives

Calculated Property

kind Value Source
logP 5.35 ALOGPS
logS -4.9 ALOGPS
Water Solubility 4.64e-03 g/l ALOGPS
logP 5.16 ChemAxon
IUPAC Name 2-[2-phenyl-3-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-isophosphindol-1-yl]pyridine ChemAxon
Traditional IUPAC Name 2-[2-phenyl-3-(pyridin-2-yl)-4,5,6,7-tetrahydroisophosphindol-1-yl]pyridine ChemAxon
Molecular Weight 368.4107 ChemAxon
Monoisotopic Weight 368.144235194 ChemAxon
SMILES C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1 ChemAxon
Molecular Formula C24H21N2P ChemAxon
InChI InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2 ChemAxon
Polar Surface Area (PSA) 25.78 ChemAxon
Refractivity 110.35 ChemAxon
Polarizability 40.48 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 4.14 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 5 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Glutathione reductase, mitochondrial : in Human