1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one

C26H23NO — CID 14500012

IUPAC1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
SMILESCc1cccc(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccccc2)c1C
InChIInChI=1S/C26H23NO/c1-18-11-10-16-23(19(18)2)27-24(21-12-6-4-7-13-21)17-25(28)20(3)26(27)22-14-8-5-9-15-22/h4-17H,1-3H3
InChIKeyKLRUJOSLDVCMRH-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.10
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one

1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one (PubChem CID 14500012) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
PubChem CID14500012
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
SMILESCc1cccc(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccccc2)c1C
InChIInChI=1S/C26H23NO/c1-18-11-10-16-23(19(18)2)27-24(21-12-6-4-7-13-21)17-25(28)20(3)26(27)22-14-8-5-9-15-22/h4-17H,1-3H3
InChIKeyKLRUJOSLDVCMRH-UHFFFAOYSA-N
XLogP6.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one (CID 14500012) is 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one is Cc1cccc(-n2c(-c3ccccc3)cc(=O)c(C)c2-c2ccccc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
The InChIKey is KLRUJOSLDVCMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-18-11-10-16-23(19(18)2)27-24(21-12-6-4-7-13-21)17-25(28)20(3)26(27)22-14-8-5-9-15-22/h4-17H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one?
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one has a molecular weight of 365.48 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one is sourced from PubChem (CID 14500012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).