4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one

C25H21NO — CID 71326926

IUPAC4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1cc(-c2ccccc2)cc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C25H21NO/c27-25-19-23(21-12-6-2-7-13-21)18-24(22-14-8-3-9-15-22)26(25)17-16-20-10-4-1-5-11-20/h1-15,18-19H,16-17H2
InChIKeyIMQUWPPXQIKUIB-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.43
Rot. Bonds5

About 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one

4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one (PubChem CID 71326926) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one
PubChem CID71326926
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1cc(-c2ccccc2)cc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C25H21NO/c27-25-19-23(21-12-6-2-7-13-21)18-24(22-14-8-3-9-15-22)26(25)17-16-20-10-4-1-5-11-20/h1-15,18-19H,16-17H2
InChIKeyIMQUWPPXQIKUIB-UHFFFAOYSA-N
XLogP5.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one (CID 71326926) is 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one is O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is IMQUWPPXQIKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c27-25-19-23(21-12-6-2-7-13-21)18-24(22-14-8-3-9-15-22)26(25)17-16-20-10-4-1-5-11-20/h1-15,18-19H,16-17H2.
What are the key properties of 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one?
4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 71326926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).