[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone

C60H38O6 — CID 68746067

IUPAC[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(-c2ccc(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c2-c2cccc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C60H38O6/c61-55(39-21-7-1-8-22-39)48-35-19-33-45(52(48)58(64)42-27-13-4-14-28-42)46-37-38-50(57(63)41-25-11-3-12-26-41)54(60(66)44-31-17-6-18-32-44)51(46)47-34-20-36-49(56(62)40-23-9-2-10-24-40)53(47)59(65)43-29-15-5-16-30-43/h1-38H
InChIKeyDHTSXJVVXVVLAO-UHFFFAOYSA-N
MW854.96 g/mol
LogP12.41
Rot. Bonds14

About [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone

[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone (PubChem CID 68746067) has the molecular formula C60H38O6 and a molecular weight of 854.96 g/mol. Its IUPAC name is [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
PubChem CID68746067
Molecular FormulaC60H38O6
Molecular Weight854.96 g/mol
Exact Mass854.27
IUPAC Name[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(-c2ccc(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c2-c2cccc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C60H38O6/c61-55(39-21-7-1-8-22-39)48-35-19-33-45(52(48)58(64)42-27-13-4-14-28-42)46-37-38-50(57(63)41-25-11-3-12-26-41)54(60(66)44-31-17-6-18-32-44)51(46)47-34-20-36-49(56(62)40-23-9-2-10-24-40)53(47)59(65)43-29-15-5-16-30-43/h1-38H
InChIKeyDHTSXJVVXVVLAO-UHFFFAOYSA-N
XLogP12.41
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.96
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzoyl-9-oxofluorene-1-carboxylic acid
CID 165349284
2-benzoyl-6-phenylbenzoic acid
CID 174388121
diphenylmethanone
CID 3102
2,3-dibenzoylbenzaldehyde
CID 54496315
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
3,4-dibenzoylphthalic acid
CID 22269446
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590

Frequently Asked Questions

What is the IUPAC name of [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone?
The IUPAC name of [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone (CID 68746067) is [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(-c2ccc(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c2-c2cccc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone?
The InChIKey is DHTSXJVVXVVLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38O6/c61-55(39-21-7-1-8-22-39)48-35-19-33-45(52(48)58(64)42-27-13-4-14-28-42)46-37-38-50(57(63)41-25-11-3-12-26-41)54(60(66)44-31-17-6-18-32-44)51(46)47-34-20-36-49(56(62)40-23-9-2-10-24-40)53(47)59(65)43-29-15-5-16-30-43/h1-38H.
What are the key properties of [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone?
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone has a molecular weight of 854.96 g/mol, XLogP of 12.41, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone is sourced from PubChem (CID 68746067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).