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

C163H157B2F37O3P2S8Sb2 — CID 159526387

About 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

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 (PubChem CID 159526387) has the molecular formula C163H157B2F37O3P2S8Sb2 and a molecular weight of 3450.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159526387
• Molecular Formula: C163H157B2F37O3P2S8Sb2
• Molecular Weight: 3450.60 g/mol
• Exact Mass: 3446.70
• IUPAC Name: 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
• SMILES: CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/C24H25S.4C22H23S.2C19H17S.2C6H3BF5.CHF3O3S.2F6P.12FH.2Sb/c1-4-10-20(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;4*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;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)8(5,6)7;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;4*4-17H,1-3H3;2*2-15H,1H3;2*7H3;(H,5,6,7);;;12*1H;;/q7*+1;2*-1;;2*-1;;;;;;;;;;;;;2*+5/p-13
• InChIKey: ZHKIPBJNPVYEKH-UHFFFAOYSA-A
• XLogP: 46.34
• TPSA: 57.20 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 22
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3450.60
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of 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?

The InChIKey is ZHKIPBJNPVYEKH-UHFFFAOYSA-A. The full InChI is InChI=1S/C24H25S.4C22H23S.2C19H17S.2C6H3BF5.CHF3O3S.2F6P.12FH.2Sb/c1-4-10-20(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;4*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;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)8(5,6)7;2*1-7(2,3,4,5)6;;;;;;;;;;;;;;/h2-3,6-9,12-20H,1,4-5,10-11H2;4*4-17H,1-3H3;2*2-15H,1H3;2*7H3;(H,5,6,7);;;12*1H;;/q7*+1;2*-1;;2*-1;;;;;;;;;;;;;2*+5/p-13.

What are the key properties of 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?

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 has a molecular weight of 3450.60 g/mol, XLogP of 46.34, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159526387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).