2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium

C170H200F14N3O22S11+ — CID 162048692

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium (PubChem CID 162048692) has the molecular formula C170H200F14N3O22S11+ and a molecular weight of 3256.18 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium.

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium
• PubChem CID: 162048692
• Molecular Formula: C170H200F14N3O22S11+
• Molecular Weight: 3256.18 g/mol
• Exact Mass: 3253.13
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium
• SMILES: COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H35F9NO7S3.C24H36O3S.C21H21O3S.3C18H15S.C16H26.C14H17F5O5S.C13H22N2O4S2/c29-25(30,26(31,32)46(39,40)38-47(41,42)28(35,36)37)27(33,34)48(43,44)45-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h16-20H,1-15H2;16-20H,1-15H2,(H,25,26,27);4-15H,1-3H3;3*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);11-12H,1-10H2/q-1;;4*+1;;;/p-2
• InChIKey: YYGHVFFLRDZSTN-UHFFFAOYSA-L
• XLogP: 45.05
• TPSA: 398.82 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 39
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3256.18
LogP ≤ 5	45.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium (CID 162048692) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium.

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium is COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?

The InChIKey is YYGHVFFLRDZSTN-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H35F9NO7S3.C24H36O3S.C21H21O3S.3C18H15S.C16H26.C14H17F5O5S.C13H22N2O4S2/c29-25(30,26(31,32)46(39,40)38-47(41,42)28(35,36)37)27(33,34)48(43,44)45-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h16-20H,1-15H2;16-20H,1-15H2,(H,25,26,27);4-15H,1-3H3;3*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);11-12H,1-10H2/q-1;;4*+1;;;/p-2.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium has a molecular weight of 3256.18 g/mol, XLogP of 45.05, 39 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium);tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 162048692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).