5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one

C30H21NO3 — CID 54695653

IUPAC5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
SMILESO=C(c1ccccc1)c1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H21NO3/c32-28(23-17-9-3-10-18-23)26-27(22-15-7-2-8-16-22)31(24-19-11-4-12-20-24)30(34)25(29(26)33)21-13-5-1-6-14-21/h1-20,33H
InChIKeyCWBKJEKWTVSUOK-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.11
Rot. Bonds5

About 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one

5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one (PubChem CID 54695653) has the molecular formula C30H21NO3 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one.

Molecular Properties

Compound Name5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
PubChem CID54695653
Molecular FormulaC30H21NO3
Molecular Weight443.50 g/mol
Exact Mass443.15
IUPAC Name5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
SMILESO=C(c1ccccc1)c1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H21NO3/c32-28(23-17-9-3-10-18-23)26-27(22-15-7-2-8-16-22)31(24-19-11-4-12-20-24)30(34)25(29(26)33)21-13-5-1-6-14-21/h1-20,33H
InChIKeyCWBKJEKWTVSUOK-UHFFFAOYSA-N
XLogP6.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The IUPAC name of 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one (CID 54695653) is 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one.
What is the SMILES notation for 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The canonical SMILES for 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one is O=C(c1ccccc1)c1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
The InChIKey is CWBKJEKWTVSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO3/c32-28(23-17-9-3-10-18-23)26-27(22-15-7-2-8-16-22)31(24-19-11-4-12-20-24)30(34)25(29(26)33)21-13-5-1-6-14-21/h1-20,33H.
What are the key properties of 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one?
5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one has a molecular weight of 443.50 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one is sourced from PubChem (CID 54695653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).