1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one

C28H23NO2 — CID 58267191

IUPAC1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
SMILESCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(=O)c3ccccc3)cc2)ccn1
InChIInChI=1S/C28H23NO2/c1-20-17-24(15-16-29-20)22-13-11-21(12-14-22)18-26(30)19-25-9-5-6-10-27(25)28(31)23-7-3-2-4-8-23/h2-17H,18-19H2,1H3
InChIKeySAJLFPFWMROEOJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.64
Rot. Bonds7

About 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one

1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one (PubChem CID 58267191) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
PubChem CID58267191
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
SMILESCc1cc(-c2ccc(CC(=O)Cc3ccccc3C(=O)c3ccccc3)cc2)ccn1
InChIInChI=1S/C28H23NO2/c1-20-17-24(15-16-29-20)22-13-11-21(12-14-22)18-26(30)19-25-9-5-6-10-27(25)28(31)23-7-3-2-4-8-23/h2-17H,18-19H2,1H3
InChIKeySAJLFPFWMROEOJ-UHFFFAOYSA-N
XLogP5.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
The IUPAC name of 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one (CID 58267191) is 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
The canonical SMILES for 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one is Cc1cc(-c2ccc(CC(=O)Cc3ccccc3C(=O)c3ccccc3)cc2)ccn1.
What is the InChIKey of 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
The InChIKey is SAJLFPFWMROEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-20-17-24(15-16-29-20)22-13-11-21(12-14-22)18-26(30)19-25-9-5-6-10-27(25)28(31)23-7-3-2-4-8-23/h2-17H,18-19H2,1H3.
What are the key properties of 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one?
1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one has a molecular weight of 405.50 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one is sourced from PubChem (CID 58267191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).