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

C26H23NO — CID 14303765

IUPAC2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one
SMILESCc1cccc(-c2c(C)c(=O)cc(-c3ccccc3)n2-c2ccccc2)c1C
InChIInChI=1S/C26H23NO/c1-18-11-10-16-23(19(18)2)26-20(3)25(28)17-24(21-12-6-4-7-13-21)27(26)22-14-8-5-9-15-22/h4-17H,1-3H3
InChIKeyNITIJSORSUYKMU-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.10
Rot. Bonds3

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

2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one (PubChem CID 14303765) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one
PubChem CID14303765
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one
SMILESCc1cccc(-c2c(C)c(=O)cc(-c3ccccc3)n2-c2ccccc2)c1C
InChIInChI=1S/C26H23NO/c1-18-11-10-16-23(19(18)2)26-20(3)25(28)17-24(21-12-6-4-7-13-21)27(26)22-14-8-5-9-15-22/h4-17H,1-3H3
InChIKeyNITIJSORSUYKMU-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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Related Compounds

2-(2-bromophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303720
2-(2-chlorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303714
2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303770
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14500012
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one
CID 14303736
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
CID 14621245
1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303546
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
1,2,6-triphenylpyridin-4-one
CID 13088641
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one (CID 14303765) is 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one is Cc1cccc(-c2c(C)c(=O)cc(-c3ccccc3)n2-c2ccccc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
The InChIKey is NITIJSORSUYKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-18-11-10-16-23(19(18)2)26-20(3)25(28)17-24(21-12-6-4-7-13-21)27(26)22-14-8-5-9-15-22/h4-17H,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one?
2-(2,3-dimethylphenyl)-3-methyl-1,6-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 2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one is sourced from PubChem (CID 14303765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).