1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone

C21H17NO2 — CID 102576391

IUPAC1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccnc(-c3ccccc3)c2C(C)=O)cc1
InChIInChI=1S/C21H17NO2/c1-14(23)16-8-10-17(11-9-16)19-12-13-22-21(20(19)15(2)24)18-6-4-3-5-7-18/h3-13H,1-2H3
InChIKeyFCEOFJIRVOINRA-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.82
Rot. Bonds4

About 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone

1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone (PubChem CID 102576391) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone
PubChem CID102576391
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccnc(-c3ccccc3)c2C(C)=O)cc1
InChIInChI=1S/C21H17NO2/c1-14(23)16-8-10-17(11-9-16)19-12-13-22-21(20(19)15(2)24)18-6-4-3-5-7-18/h3-13H,1-2H3
InChIKeyFCEOFJIRVOINRA-UHFFFAOYSA-N
XLogP4.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
4-[4-(4-acetylphenyl)-2-phenylpyridine-3-carbonyl]benzonitrile
CID 102576393
2,4-diphenylpyridine-3-carboxamide
CID 21157292
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
CID 24786462
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
1-phenylethanone;triazine
CID 157268424

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone (CID 102576391) is 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccnc(-c3ccccc3)c2C(C)=O)cc1.
What is the InChIKey of 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone?
The InChIKey is FCEOFJIRVOINRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-14(23)16-8-10-17(11-9-16)19-12-13-22-21(20(19)15(2)24)18-6-4-3-5-7-18/h3-13H,1-2H3.
What are the key properties of 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone?
1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone has a molecular weight of 315.37 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetyl-2-phenyl-4-pyridinyl)phenyl]ethanone is sourced from PubChem (CID 102576391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).