3-chloro-6-(3-phenylphenyl)dibenzothiophene

C24H15ClS — CID 176630456

IUPAC3-chloro-6-(3-phenylphenyl)dibenzothiophene
SMILESClc1ccc2c(c1)sc1c(-c3cccc(-c4ccccc4)c3)cccc12
InChIInChI=1S/C24H15ClS/c25-19-12-13-21-22-11-5-10-20(24(22)26-23(21)15-19)18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-15H
InChIKeyFCGUBRKVYYSZIT-UHFFFAOYSA-N
MW370.90 g/mol
LogP8.04
Rot. Bonds2

About 3-chloro-6-(3-phenylphenyl)dibenzothiophene

3-chloro-6-(3-phenylphenyl)dibenzothiophene (PubChem CID 176630456) has the molecular formula C24H15ClS and a molecular weight of 370.90 g/mol. Its IUPAC name is 3-chloro-6-(3-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name3-chloro-6-(3-phenylphenyl)dibenzothiophene
PubChem CID176630456
Molecular FormulaC24H15ClS
Molecular Weight370.90 g/mol
Exact Mass370.06
IUPAC Name3-chloro-6-(3-phenylphenyl)dibenzothiophene
SMILESClc1ccc2c(c1)sc1c(-c3cccc(-c4ccccc4)c3)cccc12
InChIInChI=1S/C24H15ClS/c25-19-12-13-21-22-11-5-10-20(24(22)26-23(21)15-19)18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-15H
InChIKeyFCGUBRKVYYSZIT-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.90
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)dibenzothiophene
CID 118232411
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
CID 159617411
CID 159617411
4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 118346451

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-phenylphenyl)dibenzothiophene?
The IUPAC name of 3-chloro-6-(3-phenylphenyl)dibenzothiophene (CID 176630456) is 3-chloro-6-(3-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 3-chloro-6-(3-phenylphenyl)dibenzothiophene?
The canonical SMILES for 3-chloro-6-(3-phenylphenyl)dibenzothiophene is Clc1ccc2c(c1)sc1c(-c3cccc(-c4ccccc4)c3)cccc12.
What is the InChIKey of 3-chloro-6-(3-phenylphenyl)dibenzothiophene?
The InChIKey is FCGUBRKVYYSZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClS/c25-19-12-13-21-22-11-5-10-20(24(22)26-23(21)15-19)18-9-4-8-17(14-18)16-6-2-1-3-7-16/h1-15H.
What are the key properties of 3-chloro-6-(3-phenylphenyl)dibenzothiophene?
3-chloro-6-(3-phenylphenyl)dibenzothiophene has a molecular weight of 370.90 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 176630456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).