4,6-diphenyl-1H-pyridin-2-one

C17H13NO — CID 3846201

IUPAC4,6-diphenyl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccccc2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H13NO/c19-17-12-15(13-7-3-1-4-8-13)11-16(18-17)14-9-5-2-6-10-14/h1-12H,(H,18,19)
InChIKeyXMXDFXBFGHFWPE-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.71
Rot. Bonds2

About 4,6-diphenyl-1H-pyridin-2-one

4,6-diphenyl-1H-pyridin-2-one (PubChem CID 3846201) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 4,6-diphenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-1H-pyridin-2-one
PubChem CID3846201
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name4,6-diphenyl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccccc2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H13NO/c19-17-12-15(13-7-3-1-4-8-13)11-16(18-17)14-9-5-2-6-10-14/h1-12H,(H,18,19)
InChIKeyXMXDFXBFGHFWPE-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1H-pyridin-2-one?
The IUPAC name of 4,6-diphenyl-1H-pyridin-2-one (CID 3846201) is 4,6-diphenyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-diphenyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-diphenyl-1H-pyridin-2-one is O=c1cc(-c2ccccc2)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 4,6-diphenyl-1H-pyridin-2-one?
The InChIKey is XMXDFXBFGHFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-12-15(13-7-3-1-4-8-13)11-16(18-17)14-9-5-2-6-10-14/h1-12H,(H,18,19).
What are the key properties of 4,6-diphenyl-1H-pyridin-2-one?
4,6-diphenyl-1H-pyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1H-pyridin-2-one is sourced from PubChem (CID 3846201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).