tris(4-fluorophenyl)-phenyl-λ4-sulfane

C24H17F3S — CID 118643814

IUPACtris(4-fluorophenyl)-phenyl-λ4-sulfane
SMILESFc1ccc(S(c2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17F3S/c25-18-6-12-22(13-7-18)28(21-4-2-1-3-5-21,23-14-8-19(26)9-15-23)24-16-10-20(27)11-17-24/h1-17H
InChIKeyGFCFSPVUCZGMHE-UHFFFAOYSA-N
MW394.46 g/mol
LogP7.44
Rot. Bonds4

About tris(4-fluorophenyl)-phenyl-λ4-sulfane

tris(4-fluorophenyl)-phenyl-λ4-sulfane (PubChem CID 118643814) has the molecular formula C24H17F3S and a molecular weight of 394.46 g/mol. Its IUPAC name is tris(4-fluorophenyl)-phenyl-λ4-sulfane.

Molecular Properties

Compound Nametris(4-fluorophenyl)-phenyl-λ4-sulfane
PubChem CID118643814
Molecular FormulaC24H17F3S
Molecular Weight394.46 g/mol
Exact Mass394.10
IUPAC Nametris(4-fluorophenyl)-phenyl-λ4-sulfane
SMILESFc1ccc(S(c2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17F3S/c25-18-6-12-22(13-7-18)28(21-4-2-1-3-5-21,23-14-8-19(26)9-15-23)24-16-10-20(27)11-17-24/h1-17H
InChIKeyGFCFSPVUCZGMHE-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl)-phenyl-λ4-sulfane?
The IUPAC name of tris(4-fluorophenyl)-phenyl-λ4-sulfane (CID 118643814) is tris(4-fluorophenyl)-phenyl-λ4-sulfane.
What is the SMILES notation for tris(4-fluorophenyl)-phenyl-λ4-sulfane?
The canonical SMILES for tris(4-fluorophenyl)-phenyl-λ4-sulfane is Fc1ccc(S(c2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl)-phenyl-λ4-sulfane?
The InChIKey is GFCFSPVUCZGMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3S/c25-18-6-12-22(13-7-18)28(21-4-2-1-3-5-21,23-14-8-19(26)9-15-23)24-16-10-20(27)11-17-24/h1-17H.
What are the key properties of tris(4-fluorophenyl)-phenyl-λ4-sulfane?
tris(4-fluorophenyl)-phenyl-λ4-sulfane has a molecular weight of 394.46 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-phenyl-λ4-sulfane is sourced from PubChem (CID 118643814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).