[4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone

C31H21NO2 — CID 57249372

IUPAC[4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2cccc(-c3ccc(C(=O)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H21NO2/c33-30(24-8-3-1-4-9-24)26-18-14-22(15-19-26)28-12-7-13-29(32-28)23-16-20-27(21-17-23)31(34)25-10-5-2-6-11-25/h1-21H
InChIKeyHSZDKLGISOLNBF-UHFFFAOYSA-N
MW439.51 g/mol
LogP6.88
Rot. Bonds6

About [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone

[4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone (PubChem CID 57249372) has the molecular formula C31H21NO2 and a molecular weight of 439.51 g/mol. Its IUPAC name is [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone
PubChem CID57249372
Molecular FormulaC31H21NO2
Molecular Weight439.51 g/mol
Exact Mass439.16
IUPAC Name[4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2cccc(-c3ccc(C(=O)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H21NO2/c33-30(24-8-3-1-4-9-24)26-18-14-22(15-19-26)28-12-7-13-29(32-28)23-16-20-27(21-17-23)31(34)25-10-5-2-6-11-25/h1-21H
InChIKeyHSZDKLGISOLNBF-UHFFFAOYSA-N
XLogP6.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone (CID 57249372) is [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2cccc(-c3ccc(C(=O)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone?
The InChIKey is HSZDKLGISOLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO2/c33-30(24-8-3-1-4-9-24)26-18-14-22(15-19-26)28-12-7-13-29(32-28)23-16-20-27(21-17-23)31(34)25-10-5-2-6-11-25/h1-21H.
What are the key properties of [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone?
[4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone has a molecular weight of 439.51 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone is sourced from PubChem (CID 57249372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).