bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium

C137H145F32N5O25S15 — CID 158818347

About bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium

bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium (PubChem CID 158818347) has the molecular formula C137H145F32N5O25S15 and a molecular weight of 3350.62 g/mol. Its IUPAC name is bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium.

Molecular Properties

• Compound Name: bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium
• PubChem CID: 158818347
• Molecular Formula: C137H145F32N5O25S15
• Molecular Weight: 3350.62 g/mol
• Exact Mass: 3347.55
• IUPAC Name: bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium
• SMILES: CCn1c2ccccc2c2cc([S+]3CCCC3)ccc21.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1ccc(OCCn2cc([S+]3CCCC3)c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/C21H27OS.C20H22NOS.C19H15S.C18H20NS.C18H15S.2C12H17F6NO5S2.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3/c1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-2-8-17(9-3-1)22-13-12-21-16-20(23-14-6-7-15-23)18-10-4-5-11-19(18)21;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-2-19-17-8-4-3-7-15(17)16-13-14(9-10-18(16)19)20-11-5-6-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h4-5,10-13,17H,1-3,6-9,14-16H2;1-5,8-11,16H,6-7,12-15H2;2-13H,1H3;3-4,7-10,13H,2,5-6,11-12H2,1H3;1-15H;2*8-9H,1-7H2,(H,22,23,24);5-7H,1-4H2,(H,14,15,16);;1H3/q5*+1;;;;2*-1/p-3
• InChIKey: IVOCDTLBMQCJKR-UHFFFAOYSA-K
• XLogP: 34.73
• TPSA: 459.48 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3350.62
LogP ≤ 5	34.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium?

The IUPAC name of bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium (CID 158818347) is bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium.

What is the SMILES notation for bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium?

The canonical SMILES for bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium is CCn1c2ccccc2c2cc([S+]3CCCC3)ccc21.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1ccc(OCCn2cc([S+]3CCCC3)c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium?

The InChIKey is IVOCDTLBMQCJKR-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H27OS.C20H22NOS.C19H15S.C18H20NS.C18H15S.2C12H17F6NO5S2.C9H12F4O3S.C4F10NO4S2.C4H3F6O6S3/c1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-2-8-17(9-3-1)22-13-12-21-16-20(23-14-6-7-15-23)18-10-4-5-11-19(18)21;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-2-19-17-8-4-3-7-15(17)16-13-14(9-10-18(16)19)20-11-5-6-12-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h4-5,10-13,17H,1-3,6-9,14-16H2;1-5,8-11,16H,6-7,12-15H2;2-13H,1H3;3-4,7-10,13H,2,5-6,11-12H2,1H3;1-15H;2*8-9H,1-7H2,(H,22,23,24);5-7H,1-4H2,(H,14,15,16);;1H3/q5*+1;;;;2*-1/p-3.

What are the key properties of bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium?

bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium has a molecular weight of 3350.62 g/mol, XLogP of 34.73, 35 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;5-(4-methylphenyl)dibenzothiophen-5-ium;1-(2-phenoxyethyl)-3-(thiolan-1-ium-1-yl)indole;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane;triphenylsulfanium is sourced from PubChem (CID 158818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).