1-[4-(trifluoromethyl)phenyl]dibenzothiophene

C19H11F3S — CID 158974890

IUPAC1-[4-(trifluoromethyl)phenyl]dibenzothiophene
SMILESFC(F)(F)c1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C19H11F3S/c20-19(21,22)13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)23-17/h1-11H
InChIKeyQWEYZVJRUFOJRZ-UHFFFAOYSA-N
MW328.36 g/mol
LogP6.74
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]dibenzothiophene

1-[4-(trifluoromethyl)phenyl]dibenzothiophene (PubChem CID 158974890) has the molecular formula C19H11F3S and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]dibenzothiophene
PubChem CID158974890
Molecular FormulaC19H11F3S
Molecular Weight328.36 g/mol
Exact Mass328.05
IUPAC Name1-[4-(trifluoromethyl)phenyl]dibenzothiophene
SMILESFC(F)(F)c1ccc(-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C19H11F3S/c20-19(21,22)13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)23-17/h1-11H
InChIKeyQWEYZVJRUFOJRZ-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.36
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)dibenzothiophene
CID 21111722
1-phenyldibenzothiophene;hydrobromide
CID 174679709
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
(4-dibenzothiophen-1-ylphenyl)methanamine
CID 153362309
1-[4-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989327
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615
4-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169293546
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
4-[4-[7-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294074

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]dibenzothiophene?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]dibenzothiophene (CID 158974890) is 1-[4-(trifluoromethyl)phenyl]dibenzothiophene.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]dibenzothiophene?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]dibenzothiophene is FC(F)(F)c1ccc(-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]dibenzothiophene?
The InChIKey is QWEYZVJRUFOJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3S/c20-19(21,22)13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)23-17/h1-11H.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]dibenzothiophene?
1-[4-(trifluoromethyl)phenyl]dibenzothiophene has a molecular weight of 328.36 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]dibenzothiophene is sourced from PubChem (CID 158974890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).