2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium

C181H217F13NO18S10+5 — CID 160506083

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium (PubChem CID 160506083) has the molecular formula C181H217F13NO18S10+5 and a molecular weight of 3262.36 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium.

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium
• PubChem CID: 160506083
• Molecular Formula: C181H217F13NO18S10+5
• Molecular Weight: 3262.36 g/mol
• Exact Mass: 3259.31
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium
• SMILES: Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.OCCc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1
• InChI: InChI=1S/2C25H38.C20H17OS2.2C20H25OS.C18H13S.C18H15S.C14H17F5O5S.C13H18F2O5S.C8H11F6NO5S2/c2*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;21-14-13-15-9-11-16(12-10-15)23-19-7-3-1-5-17(19)22-18-6-2-4-8-20(18)23;2*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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15/h2*17-18,20-22H,2-16H2,1H3;1-12,21H,13-14H2;2*4-5,10-13,16H,1-3,6-9,14-15H2;1-13H;1-15H;7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,(H,17,18,19);1-5H2,(H,18,19,20)/q;;5*+1
• InChIKey: QSKPWXXTLSJYFN-UHFFFAOYSA-N
• XLogP: 49.11
• TPSA: 291.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3262.36
LogP ≤ 5	49.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium (CID 160506083) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium.

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium is Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.OCCc1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium?

The InChIKey is QSKPWXXTLSJYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H38.C20H17OS2.2C20H25OS.C18H13S.C18H15S.C14H17F5O5S.C13H18F2O5S.C8H11F6NO5S2/c2*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;21-14-13-15-9-11-16(12-10-15)23-19-7-3-1-5-17(19)22-18-6-2-4-8-20(18)23;2*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;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15/h2*17-18,20-22H,2-16H2,1H3;1-12,21H,13-14H2;2*4-5,10-13,16H,1-3,6-9,14-15H2;1-13H;1-15H;7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,(H,17,18,19);1-5H2,(H,18,19,20)/q;;5*+1;;;.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium has a molecular weight of 3262.36 g/mol, XLogP of 49.11, 32 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis(1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium);1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;5-phenyldibenzothiophen-5-ium;2-(4-thianthren-5-ium-5-ylphenyl)ethanol;bis(1,3,5-tricyclohexyl-2-methylbenzene);triphenylsulfanium is sourced from PubChem (CID 160506083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).