1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone

C27H21NO2 — CID 24786462

IUPAC1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(-c3ccc(C(C)=O)cc3)c2-c2ccccn2)cc1
InChIInChI=1S/C27H21NO2/c1-18(29)20-9-13-22(14-10-20)24-6-5-7-25(27(24)26-8-3-4-17-28-26)23-15-11-21(12-16-23)19(2)30/h3-17H,1-2H3
InChIKeyIWDWCCGCLHBRLA-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.49
Rot. Bonds5

About 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone

1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone (PubChem CID 24786462) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
PubChem CID24786462
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(-c3ccc(C(C)=O)cc3)c2-c2ccccn2)cc1
InChIInChI=1S/C27H21NO2/c1-18(29)20-9-13-22(14-10-20)24-6-5-7-25(27(24)26-8-3-4-17-28-26)23-15-11-21(12-16-23)19(2)30/h3-17H,1-2H3
InChIKeyIWDWCCGCLHBRLA-UHFFFAOYSA-N
XLogP6.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone (CID 24786462) is 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone is CC(=O)c1ccc(-c2cccc(-c3ccc(C(C)=O)cc3)c2-c2ccccn2)cc1.
What is the InChIKey of 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone?
The InChIKey is IWDWCCGCLHBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-18(29)20-9-13-22(14-10-20)24-6-5-7-25(27(24)26-8-3-4-17-28-26)23-15-11-21(12-16-23)19(2)30/h3-17H,1-2H3.
What are the key properties of 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone?
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone has a molecular weight of 391.47 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone is sourced from PubChem (CID 24786462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).