2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone

C26H17BrO2 — CID 158093414

IUPAC2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccccc1-c1ccc(Br)c2oc3ccccc3c12)c1ccccc1
InChIInChI=1S/C26H17BrO2/c27-22-15-14-20(25-21-12-6-7-13-24(21)29-26(22)25)19-11-5-4-10-18(19)16-23(28)17-8-2-1-3-9-17/h1-15H,16H2
InChIKeyMGSGHWCWFPHZEM-UHFFFAOYSA-N
MW441.32 g/mol
LogP7.44
Rot. Bonds4

About 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone

2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone (PubChem CID 158093414) has the molecular formula C26H17BrO2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone
PubChem CID158093414
Molecular FormulaC26H17BrO2
Molecular Weight441.32 g/mol
Exact Mass440.04
IUPAC Name2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone
SMILESO=C(Cc1ccccc1-c1ccc(Br)c2oc3ccccc3c12)c1ccccc1
InChIInChI=1S/C26H17BrO2/c27-22-15-14-20(25-21-12-6-7-13-24(21)29-26(22)25)19-11-5-4-10-18(19)16-23(28)17-8-2-1-3-9-17/h1-15H,16H2
InChIKeyMGSGHWCWFPHZEM-UHFFFAOYSA-N
XLogP7.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone 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-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-bromothieno[2,3-b][1]benzofuran
CID 156788125
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
[(4-bromodibenzofuran-1-yl)-difluoromethyl]phosphonic acid
CID 177375815
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
1-bromo-4-(4-iodophenyl)dibenzofuran
CID 155078128
1-[7-(2-bromoacetyl)dibenzofuran-3-yl]-2-(2-bromodibenzofuran-1-yl)ethanone
CID 142790679
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
CID 166012594
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
N-(2,4-diethyldibenzofuran-1-yl)benzamide
CID 123671650
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone?
The IUPAC name of 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone (CID 158093414) is 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone?
The canonical SMILES for 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone is O=C(Cc1ccccc1-c1ccc(Br)c2oc3ccccc3c12)c1ccccc1.
What is the InChIKey of 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone?
The InChIKey is MGSGHWCWFPHZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrO2/c27-22-15-14-20(25-21-12-6-7-13-24(21)29-26(22)25)19-11-5-4-10-18(19)16-23(28)17-8-2-1-3-9-17/h1-15H,16H2.
What are the key properties of 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone?
2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone has a molecular weight of 441.32 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone is sourced from PubChem (CID 158093414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).