1-(4-fluorophenyl)dibenzothiophene

C18H11FS — CID 21111722

IUPAC1-(4-fluorophenyl)dibenzothiophene
SMILESFc1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C18H11FS/c19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-17/h1-11H
InChIKeyAVHZSVRYSFIJES-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.86
Rot. Bonds1

About 1-(4-fluorophenyl)dibenzothiophene

1-(4-fluorophenyl)dibenzothiophene (PubChem CID 21111722) has the molecular formula C18H11FS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)dibenzothiophene.

Molecular Properties

Compound Name1-(4-fluorophenyl)dibenzothiophene
PubChem CID21111722
Molecular FormulaC18H11FS
Molecular Weight278.35 g/mol
Exact Mass278.06
IUPAC Name1-(4-fluorophenyl)dibenzothiophene
SMILESFc1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C18H11FS/c19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-17/h1-11H
InChIKeyAVHZSVRYSFIJES-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyldibenzothiophene;hydrobromide
CID 174679709
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
(4-dibenzothiophen-1-ylphenyl)methanamine
CID 153362309
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
1-[4-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989327
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
3-dibenzothiophen-1-yl-1-[4-(3,4-diphenylphenyl)phenyl]dibenzothiophene
CID 165093475
2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 177292330

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)dibenzothiophene?
The IUPAC name of 1-(4-fluorophenyl)dibenzothiophene (CID 21111722) is 1-(4-fluorophenyl)dibenzothiophene.
What is the SMILES notation for 1-(4-fluorophenyl)dibenzothiophene?
The canonical SMILES for 1-(4-fluorophenyl)dibenzothiophene is Fc1ccc(-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)dibenzothiophene?
The InChIKey is AVHZSVRYSFIJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FS/c19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-17/h1-11H.
What are the key properties of 1-(4-fluorophenyl)dibenzothiophene?
1-(4-fluorophenyl)dibenzothiophene has a molecular weight of 278.35 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)dibenzothiophene is sourced from PubChem (CID 21111722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).