[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)

C31H19Cl4F6OS2Sb — CID 22619570

IUPAC[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)
SMILESF[Sb-](F)(F)(F)(F)F.O=C(c1ccccc1)c1cc(Cl)c(Sc2ccc([S+](c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C31H19Cl4OS2.6FH.Sb/c32-22-6-12-25(13-7-22)38(26-14-8-23(33)9-15-26)27-16-10-24(11-17-27)37-31-28(34)18-21(19-29(31)35)30(36)20-4-2-1-3-5-20;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyGKXRAORWEHNXEL-UHFFFAOYSA-H
MW849.19 g/mol
LogP12.92
Rot. Bonds7

About [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)

[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-) (PubChem CID 22619570) has the molecular formula C31H19Cl4F6OS2Sb and a molecular weight of 849.19 g/mol. Its IUPAC name is [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Name[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)
PubChem CID22619570
Molecular FormulaC31H19Cl4F6OS2Sb
Molecular Weight849.19 g/mol
Exact Mass845.86
IUPAC Name[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)
SMILESF[Sb-](F)(F)(F)(F)F.O=C(c1ccccc1)c1cc(Cl)c(Sc2ccc([S+](c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C31H19Cl4OS2.6FH.Sb/c32-22-6-12-25(13-7-22)38(26-14-8-23(33)9-15-26)27-16-10-24(11-17-27)37-31-28(34)18-21(19-29(31)35)30(36)20-4-2-1-3-5-20;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyGKXRAORWEHNXEL-UHFFFAOYSA-H
XLogP12.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.19
LogP ≤ 512.92
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
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
CID 172867106
[4-(2-benzoyl-3-chlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium
CID 139989810
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090
[4-[4-(2-chlorobenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 58693361
diphenyl-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanium;hexafluoroantimony(1-)
CID 71301088
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[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-chlorophenyl)-phenylmethanone dichloride
CID 22505815

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)?
The IUPAC name of [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-) (CID 22619570) is [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-).
What is the SMILES notation for [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)?
The canonical SMILES for [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-) is F[Sb-](F)(F)(F)(F)F.O=C(c1ccccc1)c1cc(Cl)c(Sc2ccc([S+](c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc2)c(Cl)c1.
What is the InChIKey of [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)?
The InChIKey is GKXRAORWEHNXEL-UHFFFAOYSA-H. The full InChI is InChI=1S/C31H19Cl4OS2.6FH.Sb/c32-22-6-12-25(13-7-22)38(26-14-8-23(33)9-15-26)27-16-10-24(11-17-27)37-31-28(34)18-21(19-29(31)35)30(36)20-4-2-1-3-5-20;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-)?
[4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-) has a molecular weight of 849.19 g/mol, XLogP of 12.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoyl-2,6-dichlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 22619570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).