fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene

C41H32F8O3S2-2 — CID 91566235

IUPACfluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene
SMILESFCC(F)(F)C(F)(F)C(F)(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.O=S([O-])([O-])(F)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17F7.C18H17FO3S2/c24-16-20(25,26)22(27,28)23(29,30)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;19-24(20,21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,16H2;1-15H,(H2,20,21,22)/p-2
InChIKeyBHYKPKMOGUSXLU-UHFFFAOYSA-L
MW788.82 g/mol
LogP11.75
Rot. Bonds11

About fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene

fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene (PubChem CID 91566235) has the molecular formula C41H32F8O3S2-2 and a molecular weight of 788.82 g/mol. Its IUPAC name is fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene.

Molecular Properties

Compound Namefluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene
PubChem CID91566235
Molecular FormulaC41H32F8O3S2-2
Molecular Weight788.82 g/mol
Exact Mass788.17
IUPAC Namefluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene
SMILESFCC(F)(F)C(F)(F)C(F)(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.O=S([O-])([O-])(F)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17F7.C18H17FO3S2/c24-16-20(25,26)22(27,28)23(29,30)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;19-24(20,21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,16H2;1-15H,(H2,20,21,22)/p-2
InChIKeyBHYKPKMOGUSXLU-UHFFFAOYSA-L
XLogP11.75
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.82
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene?
The IUPAC name of fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene (CID 91566235) is fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene.
What is the SMILES notation for fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene?
The canonical SMILES for fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene is FCC(F)(F)C(F)(F)C(F)(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.O=S([O-])([O-])(F)S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene?
The InChIKey is BHYKPKMOGUSXLU-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H17F7.C18H17FO3S2/c24-16-20(25,26)22(27,28)23(29,30)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;19-24(20,21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,16H2;1-15H,(H2,20,21,22)/p-2.
What are the key properties of fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene?
fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene has a molecular weight of 788.82 g/mol, XLogP of 11.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-dioxido-oxo-(triphenyl-λ4-sulfanyl)-λ6-sulfane;(2,2,3,3,4,4,5-heptafluoro-1,1-diphenylpentyl)benzene is sourced from PubChem (CID 91566235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).