2-(8-bromodibenzothiophen-2-yl)dibenzofuran

C24H13BrOS — CID 146301047

IUPAC2-(8-bromodibenzothiophen-2-yl)dibenzofuran
SMILESBrc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C24H13BrOS/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h1-13H
InChIKeyLNQMPGFHVGSKQW-UHFFFAOYSA-N
MW429.34 g/mol
LogP8.38
Rot. Bonds1

About 2-(8-bromodibenzothiophen-2-yl)dibenzofuran

2-(8-bromodibenzothiophen-2-yl)dibenzofuran (PubChem CID 146301047) has the molecular formula C24H13BrOS and a molecular weight of 429.34 g/mol. Its IUPAC name is 2-(8-bromodibenzothiophen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(8-bromodibenzothiophen-2-yl)dibenzofuran
PubChem CID146301047
Molecular FormulaC24H13BrOS
Molecular Weight429.34 g/mol
Exact Mass427.99
IUPAC Name2-(8-bromodibenzothiophen-2-yl)dibenzofuran
SMILESBrc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C24H13BrOS/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h1-13H
InChIKeyLNQMPGFHVGSKQW-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

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Related Compounds

7-bromo-2-dibenzothiophen-2-yldibenzofuran
CID 170101109
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
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
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
8-bromo-2-dibenzofuran-2-yl-11H-[1]benzofuro[3,2-b]carbazole
CID 143904917
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772
2-chloro-8-dibenzothiophen-2-yldibenzofuran
CID 147232999
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
7-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 142487804
2-bromodibenzothiophene;dibenzothiophene
CID 158379286

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromodibenzothiophen-2-yl)dibenzofuran?
The IUPAC name of 2-(8-bromodibenzothiophen-2-yl)dibenzofuran (CID 146301047) is 2-(8-bromodibenzothiophen-2-yl)dibenzofuran.
What is the SMILES notation for 2-(8-bromodibenzothiophen-2-yl)dibenzofuran?
The canonical SMILES for 2-(8-bromodibenzothiophen-2-yl)dibenzofuran is Brc1ccc2sc3ccc(-c4ccc5oc6ccccc6c5c4)cc3c2c1.
What is the InChIKey of 2-(8-bromodibenzothiophen-2-yl)dibenzofuran?
The InChIKey is LNQMPGFHVGSKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrOS/c25-16-7-10-24-20(13-16)19-12-15(6-9-23(19)27-24)14-5-8-22-18(11-14)17-3-1-2-4-21(17)26-22/h1-13H.
What are the key properties of 2-(8-bromodibenzothiophen-2-yl)dibenzofuran?
2-(8-bromodibenzothiophen-2-yl)dibenzofuran 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 2-(8-bromodibenzothiophen-2-yl)dibenzofuran is sourced from PubChem (CID 146301047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).