4-(3-chlorophenyl)dibenzothiophene

C18H11ClS — CID 118232411

IUPAC4-(3-chlorophenyl)dibenzothiophene
SMILESClc1cccc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C18H11ClS/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11H
InChIKeyVDDSFYNNGAIYGF-UHFFFAOYSA-N
MW294.81 g/mol
LogP6.37
Rot. Bonds1

About 4-(3-chlorophenyl)dibenzothiophene

4-(3-chlorophenyl)dibenzothiophene (PubChem CID 118232411) has the molecular formula C18H11ClS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(3-chlorophenyl)dibenzothiophene
PubChem CID118232411
Molecular FormulaC18H11ClS
Molecular Weight294.81 g/mol
Exact Mass294.03
IUPAC Name4-(3-chlorophenyl)dibenzothiophene
SMILESClc1cccc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C18H11ClS/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11H
InChIKeyVDDSFYNNGAIYGF-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.81
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
3-chloro-6-(3-phenylphenyl)dibenzothiophene
CID 176630456
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
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
4-(3-thiophen-2-ylphenyl)dibenzothiophene
CID 175696026

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)dibenzothiophene?
The IUPAC name of 4-(3-chlorophenyl)dibenzothiophene (CID 118232411) is 4-(3-chlorophenyl)dibenzothiophene.
What is the SMILES notation for 4-(3-chlorophenyl)dibenzothiophene?
The canonical SMILES for 4-(3-chlorophenyl)dibenzothiophene is Clc1cccc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-(3-chlorophenyl)dibenzothiophene?
The InChIKey is VDDSFYNNGAIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClS/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-11H.
What are the key properties of 4-(3-chlorophenyl)dibenzothiophene?
4-(3-chlorophenyl)dibenzothiophene has a molecular weight of 294.81 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)dibenzothiophene is sourced from PubChem (CID 118232411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).