bis[4-(2-bromobenzoyl)phenyl]methanone

C27H16Br2O3 — CID 22494547

IUPACbis[4-(2-bromobenzoyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)c2ccccc2Br)cc1)c1ccc(C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C27H16Br2O3/c28-23-7-3-1-5-21(23)26(31)19-13-9-17(10-14-19)25(30)18-11-15-20(16-12-18)27(32)22-6-2-4-8-24(22)29/h1-16H
InChIKeyWCWXAIBTDVIBCF-UHFFFAOYSA-N
MW548.23 g/mol
LogP6.90
Rot. Bonds6

About bis[4-(2-bromobenzoyl)phenyl]methanone

bis[4-(2-bromobenzoyl)phenyl]methanone (PubChem CID 22494547) has the molecular formula C27H16Br2O3 and a molecular weight of 548.23 g/mol. Its IUPAC name is bis[4-(2-bromobenzoyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(2-bromobenzoyl)phenyl]methanone
PubChem CID22494547
Molecular FormulaC27H16Br2O3
Molecular Weight548.23 g/mol
Exact Mass545.95
IUPAC Namebis[4-(2-bromobenzoyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)c2ccccc2Br)cc1)c1ccc(C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C27H16Br2O3/c28-23-7-3-1-5-21(23)26(31)19-13-9-17(10-14-19)25(30)18-11-15-20(16-12-18)27(32)22-6-2-4-8-24(22)29/h1-16H
InChIKeyWCWXAIBTDVIBCF-UHFFFAOYSA-N
XLogP6.90
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.23
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis[4-(2-bromobenzoyl)phenyl]methanone 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

[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
[2-(2-bromophenoxy)phenyl]-phenylmethanone
CID 70097851
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(2-bromophenyl)-phenylmethanone;phenylboronic acid;phenyl-(2-phenylphenyl)methanone
CID 158910738
2-bromobenzamide;hydrochloride
CID 68911907
S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-bromobenzoyl)phenyl]methanone?
The IUPAC name of bis[4-(2-bromobenzoyl)phenyl]methanone (CID 22494547) is bis[4-(2-bromobenzoyl)phenyl]methanone.
What is the SMILES notation for bis[4-(2-bromobenzoyl)phenyl]methanone?
The canonical SMILES for bis[4-(2-bromobenzoyl)phenyl]methanone is O=C(c1ccc(C(=O)c2ccccc2Br)cc1)c1ccc(C(=O)c2ccccc2Br)cc1.
What is the InChIKey of bis[4-(2-bromobenzoyl)phenyl]methanone?
The InChIKey is WCWXAIBTDVIBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Br2O3/c28-23-7-3-1-5-21(23)26(31)19-13-9-17(10-14-19)25(30)18-11-15-20(16-12-18)27(32)22-6-2-4-8-24(22)29/h1-16H.
What are the key properties of bis[4-(2-bromobenzoyl)phenyl]methanone?
bis[4-(2-bromobenzoyl)phenyl]methanone has a molecular weight of 548.23 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-bromobenzoyl)phenyl]methanone is sourced from PubChem (CID 22494547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).