1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran

C26H19BrO — CID 166923235

IUPAC1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
SMILESCc1ccc(Br)cc1-c1cc(-c2cccc3oc4ccccc4c23)ccc1C
InChIInChI=1S/C26H19BrO/c1-16-10-12-18(14-22(16)23-15-19(27)13-11-17(23)2)20-7-5-9-25-26(20)21-6-3-4-8-24(21)28-25/h3-15H,1-2H3
InChIKeyBBYOTIFMARYRIW-UHFFFAOYSA-N
MW427.34 g/mol
LogP8.30
Rot. Bonds2

About 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran

1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran (PubChem CID 166923235) has the molecular formula C26H19BrO and a molecular weight of 427.34 g/mol. Its IUPAC name is 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran.

Molecular Properties

Compound Name1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
PubChem CID166923235
Molecular FormulaC26H19BrO
Molecular Weight427.34 g/mol
Exact Mass426.06
IUPAC Name1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
SMILESCc1ccc(Br)cc1-c1cc(-c2cccc3oc4ccccc4c23)ccc1C
InChIInChI=1S/C26H19BrO/c1-16-10-12-18(14-22(16)23-15-19(27)13-11-17(23)2)20-7-5-9-25-26(20)21-6-3-4-8-24(21)28-25/h3-15H,1-2H3
InChIKeyBBYOTIFMARYRIW-UHFFFAOYSA-N
XLogP8.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran 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

1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
2-(2-methylphenyl)dibenzofuran
CID 118188503
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 177112954
2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
CID 171746810
2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166096450

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran?
The IUPAC name of 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran (CID 166923235) is 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran.
What is the SMILES notation for 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran?
The canonical SMILES for 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran is Cc1ccc(Br)cc1-c1cc(-c2cccc3oc4ccccc4c23)ccc1C.
What is the InChIKey of 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran?
The InChIKey is BBYOTIFMARYRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrO/c1-16-10-12-18(14-22(16)23-15-19(27)13-11-17(23)2)20-7-5-9-25-26(20)21-6-3-4-8-24(21)28-25/h3-15H,1-2H3.
What are the key properties of 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran?
1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran has a molecular weight of 427.34 g/mol, XLogP of 8.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran is sourced from PubChem (CID 166923235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).