1-(3-chloro-5-phenylphenyl)dibenzothiophene

C24H15ClS — CID 175911263

IUPAC1-(3-chloro-5-phenylphenyl)dibenzothiophene
SMILESClc1cc(-c2ccccc2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C24H15ClS/c25-19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-12-23-24(20)21-9-4-5-11-22(21)26-23/h1-15H
InChIKeyASKKSWIVINFLSL-UHFFFAOYSA-N
MW370.90 g/mol
LogP8.04
Rot. Bonds2

About 1-(3-chloro-5-phenylphenyl)dibenzothiophene

1-(3-chloro-5-phenylphenyl)dibenzothiophene (PubChem CID 175911263) has the molecular formula C24H15ClS and a molecular weight of 370.90 g/mol. Its IUPAC name is 1-(3-chloro-5-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name1-(3-chloro-5-phenylphenyl)dibenzothiophene
PubChem CID175911263
Molecular FormulaC24H15ClS
Molecular Weight370.90 g/mol
Exact Mass370.06
IUPAC Name1-(3-chloro-5-phenylphenyl)dibenzothiophene
SMILESClc1cc(-c2ccccc2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C24H15ClS/c25-19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-12-23-24(20)21-9-4-5-11-22(21)26-23/h1-15H
InChIKeyASKKSWIVINFLSL-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

1-phenyldibenzothiophene;hydrobromide
CID 174679709
4-(3-dibenzothiophen-1-ylphenyl)-6-(3-dibenzothiophen-1-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583431
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene
CID 170133675
2-[3,5-di(dibenzothiophen-1-yl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942701
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529
2-[4-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171402433
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354734
5-(4-dibenzothiophen-1-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 122551978
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
2-[2-[3,5-di(dibenzothiophen-1-yl)phenyl]phenyl]benzonitrile
CID 146354936

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-phenylphenyl)dibenzothiophene?
The IUPAC name of 1-(3-chloro-5-phenylphenyl)dibenzothiophene (CID 175911263) is 1-(3-chloro-5-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 1-(3-chloro-5-phenylphenyl)dibenzothiophene?
The canonical SMILES for 1-(3-chloro-5-phenylphenyl)dibenzothiophene is Clc1cc(-c2ccccc2)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 1-(3-chloro-5-phenylphenyl)dibenzothiophene?
The InChIKey is ASKKSWIVINFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClS/c25-19-14-17(16-7-2-1-3-8-16)13-18(15-19)20-10-6-12-23-24(20)21-9-4-5-11-22(21)26-23/h1-15H.
What are the key properties of 1-(3-chloro-5-phenylphenyl)dibenzothiophene?
1-(3-chloro-5-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 1-(3-chloro-5-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 175911263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).