1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)

C171H215F15N2O16S8+4 — CID 159722320

About 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)

1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium) (PubChem CID 159722320) has the molecular formula C171H215F15N2O16S8+4 and a molecular weight of 3096.10 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)
• PubChem CID: 159722320
• Molecular Formula: C171H215F15N2O16S8+4
• Molecular Weight: 3096.10 g/mol
• Exact Mass: 3093.36
• IUPAC Name: 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)
• SMILES: CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.O=S1(=O)CCCS(=O)(=O)[N-]1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/C30H50F2O2.C21H27OS.C20H29OS.C20H19OS.2C18H15S.C15H19F5O2.C13H19F6NO2S.C13H16F2O3.C3H6NO4S2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;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;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;5-9(6)2-1-3-10(7,8)4-9/h19-26H,7-18H2,1-6H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;1-14,21H,15-16H2;2*1-15H;8-11H,2-7H2,1H3;9-10H,2-8H2,1H3;7-9H,2-6H2,1H3;1-3H2/q;5*+1;;;;-1
• InChIKey: NAEQZZASNSFLEB-UHFFFAOYSA-N
• XLogP: 43.03
• TPSA: 262.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3096.10
LogP ≤ 5	43.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)?

The IUPAC name of 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium) (CID 159722320) is 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium).

What is the SMILES notation for 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)?

The canonical SMILES for 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium) is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.O=S1(=O)CCCS(=O)(=O)[N-]1.OCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)?

The InChIKey is NAEQZZASNSFLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50F2O2.C21H27OS.C20H29OS.C20H19OS.2C18H15S.C15H19F5O2.C13H19F6NO2S.C13H16F2O3.C3H6NO4S2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;21-16-15-17-11-13-20(14-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;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;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;5-9(6)2-1-3-10(7,8)4-9/h19-26H,7-18H2,1-6H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;1-14,21H,15-16H2;2*1-15H;8-11H,2-7H2,1H3;9-10H,2-8H2,1H3;7-9H,2-6H2,1H3;1-3H2/q;5*+1;;;;-1.

What are the key properties of 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium)?

1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium) has a molecular weight of 3096.10 g/mol, XLogP of 43.03, 35 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium;1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;bis(triphenylsulfanium) is sourced from PubChem (CID 159722320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).