4-(4-bromo-2-fluorophenyl)dibenzothiophene

C18H10BrFS — CID 126592593

IUPAC4-(4-bromo-2-fluorophenyl)dibenzothiophene
SMILESFc1cc(Br)ccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C18H10BrFS/c19-11-8-9-12(16(20)10-11)14-5-3-6-15-13-4-1-2-7-17(13)21-18(14)15/h1-10H
InChIKeyPFVXOWYIBYYQNU-UHFFFAOYSA-N
MW357.25 g/mol
LogP6.62
Rot. Bonds1

About 4-(4-bromo-2-fluorophenyl)dibenzothiophene

4-(4-bromo-2-fluorophenyl)dibenzothiophene (PubChem CID 126592593) has the molecular formula C18H10BrFS and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)dibenzothiophene
PubChem CID126592593
Molecular FormulaC18H10BrFS
Molecular Weight357.25 g/mol
Exact Mass355.97
IUPAC Name4-(4-bromo-2-fluorophenyl)dibenzothiophene
SMILESFc1cc(Br)ccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C18H10BrFS/c19-11-8-9-12(16(20)10-11)14-5-3-6-15-13-4-1-2-7-17(13)21-18(14)15/h1-10H
InChIKeyPFVXOWYIBYYQNU-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59133620
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
2-dibenzothiophen-4-ylaniline
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4-[5-tert-butyl-2-(4-tert-butyl-2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
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CID 160539754
CID 160539754

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)dibenzothiophene?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)dibenzothiophene (CID 126592593) is 4-(4-bromo-2-fluorophenyl)dibenzothiophene.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)dibenzothiophene?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)dibenzothiophene is Fc1cc(Br)ccc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)dibenzothiophene?
The InChIKey is PFVXOWYIBYYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrFS/c19-11-8-9-12(16(20)10-11)14-5-3-6-15-13-4-1-2-7-17(13)21-18(14)15/h1-10H.
What are the key properties of 4-(4-bromo-2-fluorophenyl)dibenzothiophene?
4-(4-bromo-2-fluorophenyl)dibenzothiophene has a molecular weight of 357.25 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)dibenzothiophene is sourced from PubChem (CID 126592593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).