[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride

C31H22ClF6OS2Sb — CID 172867106

IUPAC[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
SMILESF[Sb](F)(F)(F)F.O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(Cl)c1.[F-]
InChIInChI=1S/C31H22ClOS2.6FH.Sb/c32-29-22-24(31(33)23-10-4-1-5-11-23)16-21-30(29)34-25-17-19-28(20-18-25)35(26-12-6-2-7-13-26)27-14-8-3-9-15-27;;;;;;;/h1-22H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyFYQNZAVIVAJJMC-UHFFFAOYSA-H
MW745.85 g/mol
LogP7.54
Rot. Bonds7

About [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride

[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride (PubChem CID 172867106) has the molecular formula C31H22ClF6OS2Sb and a molecular weight of 745.85 g/mol. Its IUPAC name is [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride.

Molecular Properties

Compound Name[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
PubChem CID172867106
Molecular FormulaC31H22ClF6OS2Sb
Molecular Weight745.85 g/mol
Exact Mass743.97
IUPAC Name[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
SMILESF[Sb](F)(F)(F)F.O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(Cl)c1.[F-]
InChIInChI=1S/C31H22ClOS2.6FH.Sb/c32-29-22-24(31(33)23-10-4-1-5-11-23)16-21-30(29)34-25-17-19-28(20-18-25)35(26-12-6-2-7-13-26)27-14-8-3-9-15-27;;;;;;;/h1-22H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyFYQNZAVIVAJJMC-UHFFFAOYSA-H
XLogP7.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.85
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium hexafluorophosphate
CID 22619594
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;hexafluoroantimony(1-)
CID 16710497
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
[4-[2-chloro-4-(4-methylbenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 22619549
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone
CID 145162699
[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)
CID 22619570
[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 163687570
[4-(2-benzoyl-3-chlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium
CID 139989810
[[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenyl-λ4-sulfanyl] perchlorate
CID 140632972
[4-[4-(2-chlorobenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 58693361

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride?
The IUPAC name of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride (CID 172867106) is [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride.
What is the SMILES notation for [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride?
The canonical SMILES for [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride is F[Sb](F)(F)(F)F.O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(Cl)c1.[F-].
What is the InChIKey of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride?
The InChIKey is FYQNZAVIVAJJMC-UHFFFAOYSA-H. The full InChI is InChI=1S/C31H22ClOS2.6FH.Sb/c32-29-22-24(31(33)23-10-4-1-5-11-23)16-21-30(29)34-25-17-19-28(20-18-25)35(26-12-6-2-7-13-26)27-14-8-3-9-15-27;;;;;;;/h1-22H;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride?
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride has a molecular weight of 745.85 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride is sourced from PubChem (CID 172867106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).