4-(4-chloro-2-phenylphenyl)dibenzothiophene

C24H15ClS — CID 139338092

IUPAC4-(4-chloro-2-phenylphenyl)dibenzothiophene
SMILESClc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C24H15ClS/c25-17-13-14-18(22(15-17)16-7-2-1-3-8-16)20-10-6-11-21-19-9-4-5-12-23(19)26-24(20)21/h1-15H
InChIKeyFXIGVYVWVMYVFI-UHFFFAOYSA-N
MW370.90 g/mol
LogP8.04
Rot. Bonds2

About 4-(4-chloro-2-phenylphenyl)dibenzothiophene

4-(4-chloro-2-phenylphenyl)dibenzothiophene (PubChem CID 139338092) has the molecular formula C24H15ClS and a molecular weight of 370.90 g/mol. Its IUPAC name is 4-(4-chloro-2-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(4-chloro-2-phenylphenyl)dibenzothiophene
PubChem CID139338092
Molecular FormulaC24H15ClS
Molecular Weight370.90 g/mol
Exact Mass370.06
IUPAC Name4-(4-chloro-2-phenylphenyl)dibenzothiophene
SMILESClc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C24H15ClS/c25-17-13-14-18(22(15-17)16-7-2-1-3-8-16)20-10-6-11-21-19-9-4-5-12-23(19)26-24(20)21/h1-15H
InChIKeyFXIGVYVWVMYVFI-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-[2-(2-bromophenyl)-4-chlorophenyl]dibenzothiophene
CID 139338091
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
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
3-chloro-6-(3-phenylphenyl)dibenzothiophene
CID 176630456
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632515
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632160
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-(4-chloro-2-phenylphenyl)dibenzothiophene (CID 139338092) is 4-(4-chloro-2-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(4-chloro-2-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-(4-chloro-2-phenylphenyl)dibenzothiophene is Clc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-chloro-2-phenylphenyl)dibenzothiophene?
The InChIKey is FXIGVYVWVMYVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClS/c25-17-13-14-18(22(15-17)16-7-2-1-3-8-16)20-10-6-11-21-19-9-4-5-12-23(19)26-24(20)21/h1-15H.
What are the key properties of 4-(4-chloro-2-phenylphenyl)dibenzothiophene?
4-(4-chloro-2-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 4-(4-chloro-2-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 139338092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).