4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran

C30H17BrOS — CID 139552015

IUPAC4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran
SMILESBrc1ccc(-c2cccc3c2oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C30H17BrOS/c31-19-16-14-18(15-17-19)20-7-3-8-22-23-9-4-10-24(29(23)32-28(20)22)26-12-5-11-25-21-6-1-2-13-27(21)33-30(25)26/h1-17H
InChIKeyHWWGPDWUSLFMOC-UHFFFAOYSA-N
MW505.44 g/mol
LogP10.05
Rot. Bonds2

About 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran

4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran (PubChem CID 139552015) has the molecular formula C30H17BrOS and a molecular weight of 505.44 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran
PubChem CID139552015
Molecular FormulaC30H17BrOS
Molecular Weight505.44 g/mol
Exact Mass504.02
IUPAC Name4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran
SMILESBrc1ccc(-c2cccc3c2oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1
InChIInChI=1S/C30H17BrOS/c31-19-16-14-18(15-17-19)20-7-3-8-22-23-9-4-10-24(29(23)32-28(20)22)26-12-5-11-25-21-6-1-2-13-27(21)33-30(25)26/h1-17H
InChIKeyHWWGPDWUSLFMOC-UHFFFAOYSA-N
XLogP10.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.44
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran 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-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769947
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(4-bromophenyl)dibenzofuran
CID 59022098
9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953055
4-(4-bromo-2-fluorophenyl)dibenzothiophene
CID 126592593
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
CID 58568929
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882
2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159898357
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran?
The IUPAC name of 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran (CID 139552015) is 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran.
What is the SMILES notation for 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran?
The canonical SMILES for 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran is Brc1ccc(-c2cccc3c2oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1.
What is the InChIKey of 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran?
The InChIKey is HWWGPDWUSLFMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17BrOS/c31-19-16-14-18(15-17-19)20-7-3-8-22-23-9-4-10-24(29(23)32-28(20)22)26-12-5-11-25-21-6-1-2-13-27(21)33-30(25)26/h1-17H.
What are the key properties of 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran?
4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran has a molecular weight of 505.44 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran is sourced from PubChem (CID 139552015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).