7-bromo-2-dibenzothiophen-2-yldibenzofuran

C24H13BrOS — CID 170101109

IUPAC7-bromo-2-dibenzothiophen-2-yldibenzofuran
SMILESBrc1ccc2c(c1)oc1ccc(-c3ccc4sc5ccccc5c4c3)cc12
InChIInChI=1S/C24H13BrOS/c25-16-7-8-17-19-11-14(5-9-21(19)26-22(17)13-16)15-6-10-24-20(12-15)18-3-1-2-4-23(18)27-24/h1-13H
InChIKeyORFPLISQNLPLCK-UHFFFAOYSA-N
MW429.34 g/mol
LogP8.38
Rot. Bonds1

About 7-bromo-2-dibenzothiophen-2-yldibenzofuran

7-bromo-2-dibenzothiophen-2-yldibenzofuran (PubChem CID 170101109) has the molecular formula C24H13BrOS and a molecular weight of 429.34 g/mol. Its IUPAC name is 7-bromo-2-dibenzothiophen-2-yldibenzofuran.

Molecular Properties

Compound Name7-bromo-2-dibenzothiophen-2-yldibenzofuran
PubChem CID170101109
Molecular FormulaC24H13BrOS
Molecular Weight429.34 g/mol
Exact Mass427.99
IUPAC Name7-bromo-2-dibenzothiophen-2-yldibenzofuran
SMILESBrc1ccc2c(c1)oc1ccc(-c3ccc4sc5ccccc5c4c3)cc12
InChIInChI=1S/C24H13BrOS/c25-16-7-8-17-19-11-14(5-9-21(19)26-22(17)13-16)15-6-10-24-20(12-15)18-3-1-2-4-23(18)27-24/h1-13H
InChIKeyORFPLISQNLPLCK-UHFFFAOYSA-N
XLogP8.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.34
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-dibenzothiophen-2-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-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2-chloro-8-dibenzothiophen-2-yldibenzofuran
CID 147232999
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-dibenzothiophen-2-yldibenzofuran?
The IUPAC name of 7-bromo-2-dibenzothiophen-2-yldibenzofuran (CID 170101109) is 7-bromo-2-dibenzothiophen-2-yldibenzofuran.
What is the SMILES notation for 7-bromo-2-dibenzothiophen-2-yldibenzofuran?
The canonical SMILES for 7-bromo-2-dibenzothiophen-2-yldibenzofuran is Brc1ccc2c(c1)oc1ccc(-c3ccc4sc5ccccc5c4c3)cc12.
What is the InChIKey of 7-bromo-2-dibenzothiophen-2-yldibenzofuran?
The InChIKey is ORFPLISQNLPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrOS/c25-16-7-8-17-19-11-14(5-9-21(19)26-22(17)13-16)15-6-10-24-20(12-15)18-3-1-2-4-23(18)27-24/h1-13H.
What are the key properties of 7-bromo-2-dibenzothiophen-2-yldibenzofuran?
7-bromo-2-dibenzothiophen-2-yldibenzofuran has a molecular weight of 429.34 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-dibenzothiophen-2-yldibenzofuran is sourced from PubChem (CID 170101109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).