2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine

C24H21N2P — CID 11505541

IUPAC2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine
SMILESc1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1
InChIInChI=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
InChIKeyGSKNNHAAFLPYHG-UHFFFAOYSA-N
MW368.42 g/mol
LogP6.67
Rot. Bonds3

About 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine

2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine (PubChem CID 11505541) has the molecular formula C24H21N2P and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine.

Molecular Properties

Compound Name2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine
PubChem CID11505541
Molecular FormulaC24H21N2P
Molecular Weight368.42 g/mol
Exact Mass368.14
IUPAC Name2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine
SMILESc1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1
InChIInChI=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
InChIKeyGSKNNHAAFLPYHG-UHFFFAOYSA-N
XLogP6.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine?
The IUPAC name of 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine (CID 11505541) is 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine.
What is the SMILES notation for 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine?
The canonical SMILES for 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine is c1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1.
What is the InChIKey of 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine?
The InChIKey is GSKNNHAAFLPYHG-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine?
2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine has a molecular weight of 368.42 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine is sourced from PubChem (CID 11505541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).