[4-(4-benzoylphenyl)phenyl]-phenylmethanone

C26H18O2 — CID 4671929

IUPAC[4-(4-benzoylphenyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H18O2/c27-25(21-7-3-1-4-8-21)23-15-11-19(12-16-23)20-13-17-24(18-14-20)26(28)22-9-5-2-6-10-22/h1-18H
InChIKeyMLNFAVZUSGIURZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.82
Rot. Bonds5

About [4-(4-benzoylphenyl)phenyl]-phenylmethanone

[4-(4-benzoylphenyl)phenyl]-phenylmethanone (PubChem CID 4671929) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(4-benzoylphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-benzoylphenyl)phenyl]-phenylmethanone
PubChem CID4671929
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name[4-(4-benzoylphenyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H18O2/c27-25(21-7-3-1-4-8-21)23-15-11-19(12-16-23)20-13-17-24(18-14-20)26(28)22-9-5-2-6-10-22/h1-18H
InChIKeyMLNFAVZUSGIURZ-UHFFFAOYSA-N
XLogP5.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoylphenyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(4-benzoylphenyl)phenyl]-phenylmethanone (CID 4671929) is [4-(4-benzoylphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-benzoylphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4-benzoylphenyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-benzoylphenyl)phenyl]-phenylmethanone?
The InChIKey is MLNFAVZUSGIURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c27-25(21-7-3-1-4-8-21)23-15-11-19(12-16-23)20-13-17-24(18-14-20)26(28)22-9-5-2-6-10-22/h1-18H.
What are the key properties of [4-(4-benzoylphenyl)phenyl]-phenylmethanone?
[4-(4-benzoylphenyl)phenyl]-phenylmethanone has a molecular weight of 362.43 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoylphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 4671929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).