3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane

C23H19F3S2 — CID 174411937

IUPAC3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
SMILESFC(F)F.S.c1ccc(-c2cccc(-c3ccsc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H16S.CHF3.H2S/c1-3-8-17(9-4-1)20-12-7-13-21(19-14-15-23-16-19)22(20)18-10-5-2-6-11-18;2-1(3)4;/h1-16H;1H;1H2
InChIKeyXUBCKIGYVNOBFY-UHFFFAOYSA-N
MW416.53 g/mol
LogP8.04
Rot. Bonds3

About 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane

3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane (PubChem CID 174411937) has the molecular formula C23H19F3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane.

Molecular Properties

Compound Name3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
PubChem CID174411937
Molecular FormulaC23H19F3S2
Molecular Weight416.53 g/mol
Exact Mass416.09
IUPAC Name3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
SMILESFC(F)F.S.c1ccc(-c2cccc(-c3ccsc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H16S.CHF3.H2S/c1-3-8-17(9-4-1)20-12-7-13-21(19-14-15-23-16-19)22(20)18-10-5-2-6-11-18;2-1(3)4;/h1-16H;1H;1H2
InChIKeyXUBCKIGYVNOBFY-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane?
The IUPAC name of 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane (CID 174411937) is 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane.
What is the SMILES notation for 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane?
The canonical SMILES for 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane is FC(F)F.S.c1ccc(-c2cccc(-c3ccsc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane?
The InChIKey is XUBCKIGYVNOBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S.CHF3.H2S/c1-3-8-17(9-4-1)20-12-7-13-21(19-14-15-23-16-19)22(20)18-10-5-2-6-11-18;2-1(3)4;/h1-16H;1H;1H2.
What are the key properties of 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane?
3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane has a molecular weight of 416.53 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane is sourced from PubChem (CID 174411937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).