[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone

C45H30O3 — CID 11707128

IUPAC[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2cc(-c3ccc(C(=O)c4ccccc4)cc3)cc(-c3ccc(C(=O)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C45H30O3/c46-43(34-10-4-1-5-11-34)37-22-16-31(17-23-37)40-28-41(32-18-24-38(25-19-32)44(47)35-12-6-2-7-13-35)30-42(29-40)33-20-26-39(27-21-33)45(48)36-14-8-3-9-15-36/h1-30H
InChIKeyWOOBPQGYVSIZEF-UHFFFAOYSA-N
MW618.73 g/mol
LogP10.38
Rot. Bonds9

About [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone

[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone (PubChem CID 11707128) has the molecular formula C45H30O3 and a molecular weight of 618.73 g/mol. Its IUPAC name is [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone
PubChem CID11707128
Molecular FormulaC45H30O3
Molecular Weight618.73 g/mol
Exact Mass618.22
IUPAC Name[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2cc(-c3ccc(C(=O)c4ccccc4)cc3)cc(-c3ccc(C(=O)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C45H30O3/c46-43(34-10-4-1-5-11-34)37-22-16-31(17-23-37)40-28-41(32-18-24-38(25-19-32)44(47)35-12-6-2-7-13-35)30-42(29-40)33-20-26-39(27-21-33)45(48)36-14-8-3-9-15-36/h1-30H
InChIKeyWOOBPQGYVSIZEF-UHFFFAOYSA-N
XLogP10.38
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone (CID 11707128) is [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2cc(-c3ccc(C(=O)c4ccccc4)cc3)cc(-c3ccc(C(=O)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone?
The InChIKey is WOOBPQGYVSIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O3/c46-43(34-10-4-1-5-11-34)37-22-16-31(17-23-37)40-28-41(32-18-24-38(25-19-32)44(47)35-12-6-2-7-13-35)30-42(29-40)33-20-26-39(27-21-33)45(48)36-14-8-3-9-15-36/h1-30H.
What are the key properties of [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone?
[4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone has a molecular weight of 618.73 g/mol, XLogP of 10.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(4-benzoylphenyl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 11707128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).