1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone

C38H23BrO3 — CID 142604922

IUPAC1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C38H23BrO3/c1-22(40)34-21-26(39)16-17-27(34)23-18-24(28-10-6-12-32-30-8-2-4-14-35(30)41-37(28)32)20-25(19-23)29-11-7-13-33-31-9-3-5-15-36(31)42-38(29)33/h2-21H,1H3
InChIKeyAVJKNTJCUVFQTK-UHFFFAOYSA-N
MW607.50 g/mol
LogP11.45
Rot. Bonds4

About 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone

1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone (PubChem CID 142604922) has the molecular formula C38H23BrO3 and a molecular weight of 607.50 g/mol. Its IUPAC name is 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
PubChem CID142604922
Molecular FormulaC38H23BrO3
Molecular Weight607.50 g/mol
Exact Mass606.08
IUPAC Name1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C38H23BrO3/c1-22(40)34-21-26(39)16-17-27(34)23-18-24(28-10-6-12-32-30-8-2-4-14-35(30)41-37(28)32)20-25(19-23)29-11-7-13-33-31-9-3-5-15-36(31)42-38(29)33/h2-21H,1H3
InChIKeyAVJKNTJCUVFQTK-UHFFFAOYSA-N
XLogP11.45
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.50
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone 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

4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-(4-bromophenyl)dibenzofuran
CID 59022098
1-dibenzofuran-4-ylethanone
CID 15691981
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463559

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone (CID 142604922) is 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone is CC(=O)c1cc(Br)ccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone?
The InChIKey is AVJKNTJCUVFQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23BrO3/c1-22(40)34-21-26(39)16-17-27(34)23-18-24(28-10-6-12-32-30-8-2-4-14-35(30)41-37(28)32)20-25(19-23)29-11-7-13-33-31-9-3-5-15-36(31)42-38(29)33/h2-21H,1H3.
What are the key properties of 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone?
1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone has a molecular weight of 607.50 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone is sourced from PubChem (CID 142604922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).