2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)

C156H177F16N3O18S10+2 — CID 158892246

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium) (PubChem CID 158892246) has the molecular formula C156H177F16N3O18S10+2 and a molecular weight of 3006.77 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)
• PubChem CID: 158892246
• Molecular Formula: C156H177F16N3O18S10+2
• Molecular Weight: 3006.77 g/mol
• Exact Mass: 3004.00
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(=O)OC1C2CC3CC(C2)CC1C3.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.[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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H35F9NO7S3.4C18H15S.C16H26.C14H17F5O5S.C13H18F2O2.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;4*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;1-13(14,15)12(16)17-11-9-3-7-2-8(5-9)6-10(11)4-7;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;4*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);7-11H,2-6H2,1H3;11-12H,1-10H2/q-1;4*+1;;;;/p-1
• InChIKey: JEJPFKWTGXHMFK-UHFFFAOYSA-M
• XLogP: 41.30
• TPSA: 340.23 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3006.77
LogP ≤ 5	41.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium) (CID 158892246) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium) is CC(F)(F)C(=O)OC1C2CC3CC(C2)CC1C3.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.[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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)?

The InChIKey is JEJPFKWTGXHMFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H35F9NO7S3.4C18H15S.C16H26.C14H17F5O5S.C13H18F2O2.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;4*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;1-13(14,15)12(16)17-11-9-3-7-2-8(5-9)6-10(11)4-7;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;4*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);7-11H,2-6H2,1H3;11-12H,1-10H2/q-1;4*+1;;;;/p-1.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium) has a molecular weight of 3006.77 g/mol, XLogP of 41.30, 34 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[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;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158892246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).