4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene

C24H14BrClS — CID 139338091

IUPAC4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
SMILESClc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2Br)c1
InChIInChI=1S/C24H14BrClS/c25-22-10-3-1-6-17(22)21-14-15(26)12-13-16(21)19-8-5-9-20-18-7-2-4-11-23(18)27-24(19)20/h1-14H
InChIKeyXXQDEGPSPYGBEC-UHFFFAOYSA-N
MW449.80 g/mol
LogP8.80
Rot. Bonds2

About 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene

4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene (PubChem CID 139338091) has the molecular formula C24H14BrClS and a molecular weight of 449.80 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
PubChem CID139338091
Molecular FormulaC24H14BrClS
Molecular Weight449.80 g/mol
Exact Mass447.97
IUPAC Name4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
SMILESClc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2Br)c1
InChIInChI=1S/C24H14BrClS/c25-22-10-3-1-6-17(22)21-14-15(26)12-13-16(21)19-8-5-9-20-18-7-2-4-11-23(18)27-24(19)20/h1-14H
InChIKeyXXQDEGPSPYGBEC-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.80
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
4-(4-bromo-2-fluorophenyl)dibenzothiophene
CID 126592593
1-chloro-4-(2-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 176824680
4-(2-butan-2-yl-4-chlorophenyl)dibenzothiophene
CID 144660308
4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 66684505
4-(15-dibenzothiophen-4-yl-3-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)dibenzothiophene
CID 134428975
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
1-bromo-2-iodobenzene;4-(2-bromophenyl)dibenzothiophene;dibenzothiophen-4-ylboronic acid;methane
CID 157431022
4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene?
The IUPAC name of 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene (CID 139338091) is 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene.
What is the SMILES notation for 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene?
The canonical SMILES for 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene is Clc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2Br)c1.
What is the InChIKey of 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene?
The InChIKey is XXQDEGPSPYGBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrClS/c25-22-10-3-1-6-17(22)21-14-15(26)12-13-16(21)19-8-5-9-20-18-7-2-4-11-23(18)27-24(19)20/h1-14H.
What are the key properties of 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene?
4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene has a molecular weight of 449.80 g/mol, XLogP of 8.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene is sourced from PubChem (CID 139338091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).