bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate

C229H208B2F52O11P4S14Sb2 — CID 157404442

IUPACbis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.OCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/2C24H19S2.C24H25S.2C22H23S.4C20H18OS.C19H17OS.2C6H3BF5.2CHF3O3S.4F6P.12FH.2Sb/c2*1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2*1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;4*1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;;;;;;;/h2*1-19H;2-3,6-9,12-20H,1,4-5,10-11H2;2*4-17H,1-3H3;4*3-14H,1-2H3;1-14,20H,15H2;2*7H3;2*(H,5,6,7);;;;;12*1H;;/q5*+1;;;;;+1;2*-1;;;4*-1;;;;;;;;;;;;;2*+5/p-10
InChIKeyIGKRIQROFZGCJG-UHFFFAOYSA-D
MW4962.05 g/mol
LogP69.37
Rot. Bonds36

About bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate

bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate (PubChem CID 157404442) has the molecular formula C229H208B2F52O11P4S14Sb2 and a molecular weight of 4962.05 g/mol. Its IUPAC name is bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate.

Molecular Properties

Compound Namebis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate
PubChem CID157404442
Molecular FormulaC229H208B2F52O11P4S14Sb2
Molecular Weight4962.05 g/mol
Exact Mass4956.82
IUPAC Namebis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.OCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/2C24H19S2.C24H25S.2C22H23S.4C20H18OS.C19H17OS.2C6H3BF5.2CHF3O3S.4F6P.12FH.2Sb/c2*1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2*1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;4*1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;;;;;;;/h2*1-19H;2-3,6-9,12-20H,1,4-5,10-11H2;2*4-17H,1-3H3;4*3-14H,1-2H3;1-14,20H,15H2;2*7H3;2*(H,5,6,7);;;;;12*1H;;/q5*+1;;;;;+1;2*-1;;;4*-1;;;;;;;;;;;;;2*+5/p-10
InChIKeyIGKRIQROFZGCJG-UHFFFAOYSA-D
XLogP69.37
TPSA215.55 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004962.05
LogP ≤ 569.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate with MolForge

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Related Compounds

tetrakis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);trifluoromethanesulfonate;difluoride;dihexafluorophosphate
CID 159526387
bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);(4-methoxyphenyl)-diphenylsulfanium;pentafluoro-λ5-stibane;(2,3,4,5,6-pentafluorophenyl)boranuide;bis(trifluoromethanesulfonate);fluoride;trihexafluorophosphate
CID 158697033
bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)iodanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;nonakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
CID 159635253
bis((4-cyclohexylphenyl)-diphenylsulfanium);4-methylbenzenesulfonate;2,3,4,5,6-pentafluorobenzenesulfonate
CID 173182301
bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium;tris(4-methylphenyl)sulfanium
CID 159442033
1,1,2,2,3,3-hexafluorobutane-1-sulfonate;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium
CID 157388254
bis(4-tert-butylphenyl)iodanium;bis(trifluoromethanesulfonate);triphenylsulfanium
CID 161153054
[4-(4-tert-butylphenyl)sulfanylphenyl]methanol
CID 63814755
1-cyclohexyl-4-fluorobenzene;phenylmethanol
CID 143134294
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175
CID 157475219
CID 157475219
(4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 160736418

Frequently Asked Questions

What is the IUPAC name of bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate?
The IUPAC name of bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate (CID 157404442) is bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate.
What is the SMILES notation for bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate?
The canonical SMILES for bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.OCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate?
The InChIKey is IGKRIQROFZGCJG-UHFFFAOYSA-D. The full InChI is InChI=1S/2C24H19S2.C24H25S.2C22H23S.4C20H18OS.C19H17OS.2C6H3BF5.2CHF3O3S.4F6P.12FH.2Sb/c2*1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2*1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;4*1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;;;;;;;/h2*1-19H;2-3,6-9,12-20H,1,4-5,10-11H2;2*4-17H,1-3H3;4*3-14H,1-2H3;1-14,20H,15H2;2*7H3;2*(H,5,6,7);;;;;12*1H;;/q5*+1;;;;;+1;2*-1;;;4*-1;;;;;;;;;;;;;2*+5/p-10.
What are the key properties of bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate?
bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate has a molecular weight of 4962.05 g/mol, XLogP of 69.37, 36 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-tert-butylphenyl)-diphenylsulfanium);(4-cyclohexylphenyl)-diphenylsulfanium;bis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);tetrakis((4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium);[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);bis(trifluoromethanesulfonate);difluoride;tetrahexafluorophosphate is sourced from PubChem (CID 157404442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).