bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)

C194H235F18N2O13S9+5 — CID 159269422

About bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)

bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) (PubChem CID 159269422) has the molecular formula C194H235F18N2O13S9+5 and a molecular weight of 3433.58 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)
• PubChem CID: 159269422
• Molecular Formula: C194H235F18N2O13S9+5
• Molecular Weight: 3433.58 g/mol
• Exact Mass: 3430.50
• IUPAC Name: bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)
• SMILES: CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1
• InChI: InChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.C20H25OS.3C18H15S.C13H19F6NO2S.C8H11F6NO5S2/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;1-2-8-16(9-3-1)21-19-12-13-20(22-14-6-7-15-22)18-11-5-4-10-17(18)19;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;4-5,10-13,16H,1-3,6-9,14-15H2;3*1-15H;9-10H,2-8H2,1H3;1-5H2,(H,18,19,20)/q;;;5*+1
• InChIKey: KXNAAQAYNOSUSV-UHFFFAOYSA-N
• XLogP: 55.70
• TPSA: 200.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 40
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3433.58
LogP ≤ 5	55.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

The IUPAC name of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) (CID 159269422) is bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium).

What is the SMILES notation for bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

The canonical SMILES for bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1.

What is the InChIKey of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

The InChIKey is KXNAAQAYNOSUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.C20H25OS.3C18H15S.C13H19F6NO2S.C8H11F6NO5S2/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;1-2-8-16(9-3-1)21-19-12-13-20(22-14-6-7-15-22)18-11-5-4-10-17(18)19;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;4-5,10-13,16H,1-3,6-9,14-15H2;3*1-15H;9-10H,2-8H2,1H3;1-5H2,(H,18,19,20)/q;;;5*+1;;.

What are the key properties of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium)?

bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) has a molecular weight of 3433.58 g/mol, XLogP of 55.70, 40 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;tris(triphenylsulfanium) is sourced from PubChem (CID 159269422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).