4-(2-bromo-3-chlorophenyl)dibenzothiophene

C18H10BrClS — CID 129023068

IUPAC4-(2-bromo-3-chlorophenyl)dibenzothiophene
SMILESClc1cccc(-c2cccc3c2sc2ccccc23)c1Br
InChIInChI=1S/C18H10BrClS/c19-17-12(6-4-9-15(17)20)14-8-3-7-13-11-5-1-2-10-16(11)21-18(13)14/h1-10H
InChIKeyNZVDFZLRYGJWBH-UHFFFAOYSA-N
MW373.70 g/mol
LogP7.14
Rot. Bonds1

About 4-(2-bromo-3-chlorophenyl)dibenzothiophene

4-(2-bromo-3-chlorophenyl)dibenzothiophene (PubChem CID 129023068) has the molecular formula C18H10BrClS and a molecular weight of 373.70 g/mol. Its IUPAC name is 4-(2-bromo-3-chlorophenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(2-bromo-3-chlorophenyl)dibenzothiophene
PubChem CID129023068
Molecular FormulaC18H10BrClS
Molecular Weight373.70 g/mol
Exact Mass371.94
IUPAC Name4-(2-bromo-3-chlorophenyl)dibenzothiophene
SMILESClc1cccc(-c2cccc3c2sc2ccccc23)c1Br
InChIInChI=1S/C18H10BrClS/c19-17-12(6-4-9-15(17)20)14-8-3-7-13-11-5-1-2-10-16(11)21-18(13)14/h1-10H
InChIKeyNZVDFZLRYGJWBH-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680
4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
CID 139338091
2-dibenzothiophen-4-ylaniline
CID 58050240
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
4-(4-bromo-2-fluorophenyl)dibenzothiophene
CID 126592593
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
2-bromo-1-(2-bromophenyl)-3-chlorobenzene
CID 175669907
4-(2-isocyanophenyl)dibenzothiophene
CID 170460075
4-(4-bromophenyl)-6-dibenzothiophen-4-yldibenzofuran
CID 139552015

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-chlorophenyl)dibenzothiophene?
The IUPAC name of 4-(2-bromo-3-chlorophenyl)dibenzothiophene (CID 129023068) is 4-(2-bromo-3-chlorophenyl)dibenzothiophene.
What is the SMILES notation for 4-(2-bromo-3-chlorophenyl)dibenzothiophene?
The canonical SMILES for 4-(2-bromo-3-chlorophenyl)dibenzothiophene is Clc1cccc(-c2cccc3c2sc2ccccc23)c1Br.
What is the InChIKey of 4-(2-bromo-3-chlorophenyl)dibenzothiophene?
The InChIKey is NZVDFZLRYGJWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClS/c19-17-12(6-4-9-15(17)20)14-8-3-7-13-11-5-1-2-10-16(11)21-18(13)14/h1-10H.
What are the key properties of 4-(2-bromo-3-chlorophenyl)dibenzothiophene?
4-(2-bromo-3-chlorophenyl)dibenzothiophene has a molecular weight of 373.70 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-chlorophenyl)dibenzothiophene is sourced from PubChem (CID 129023068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).