2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile

C24H16N2O — CID 10291412

IUPAC2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C24H16N2O/c25-16-19-11-7-8-14-22(19)23-15-20(18-9-3-1-4-10-18)17-26(24(23)27)21-12-5-2-6-13-21/h1-15,17H
InChIKeyUXUALQPGAMIQLC-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.04
Rot. Bonds3

About 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile

2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile (PubChem CID 10291412) has the molecular formula C24H16N2O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile
PubChem CID10291412
Molecular FormulaC24H16N2O
Molecular Weight348.41 g/mol
Exact Mass348.13
IUPAC Name2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccc2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C24H16N2O/c25-16-19-11-7-8-14-22(19)23-15-20(18-9-3-1-4-10-18)17-26(24(23)27)21-12-5-2-6-13-21/h1-15,17H
InChIKeyUXUALQPGAMIQLC-UHFFFAOYSA-N
XLogP5.04
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile?
The IUPAC name of 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile (CID 10291412) is 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccc2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile?
The InChIKey is UXUALQPGAMIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O/c25-16-19-11-7-8-14-22(19)23-15-20(18-9-3-1-4-10-18)17-26(24(23)27)21-12-5-2-6-13-21/h1-15,17H.
What are the key properties of 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile?
2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile has a molecular weight of 348.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,5-diphenyl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 10291412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).