1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone

C27H23NO2 — CID 44551442

IUPAC1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)N(c2ccccc2)C(c2ccccc2)=C(C(=O)c2ccccc2)C1
InChIInChI=1S/C27H23NO2/c1-19-24(20(2)29)18-25(27(30)22-14-8-4-9-15-22)26(21-12-6-3-7-13-21)28(19)23-16-10-5-11-17-23/h3-17H,18H2,1-2H3
InChIKeyJVOQZYAPQTVGCQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.05
Rot. Bonds5

About 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone

1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone (PubChem CID 44551442) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone
PubChem CID44551442
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone
SMILESCC(=O)C1=C(C)N(c2ccccc2)C(c2ccccc2)=C(C(=O)c2ccccc2)C1
InChIInChI=1S/C27H23NO2/c1-19-24(20(2)29)18-25(27(30)22-14-8-4-9-15-22)26(21-12-6-3-7-13-21)28(19)23-16-10-5-11-17-23/h3-17H,18H2,1-2H3
InChIKeyJVOQZYAPQTVGCQ-UHFFFAOYSA-N
XLogP6.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone (CID 44551442) is 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone is CC(=O)C1=C(C)N(c2ccccc2)C(c2ccccc2)=C(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone?
The InChIKey is JVOQZYAPQTVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-19-24(20(2)29)18-25(27(30)22-14-8-4-9-15-22)26(21-12-6-3-7-13-21)28(19)23-16-10-5-11-17-23/h3-17H,18H2,1-2H3.
What are the key properties of 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone?
1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone has a molecular weight of 393.49 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzoyl-2-methyl-1,6-diphenyl-4H-pyridin-3-yl)ethanone is sourced from PubChem (CID 44551442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).