[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium

C211H248F37NO23S8+6 — CID 157265601

About [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium

[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium (PubChem CID 157265601) has the molecular formula C211H248F37NO23S8+6 and a molecular weight of 4125.75 g/mol. Its IUPAC name is [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium.

Molecular Properties

• Compound Name: [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium
• PubChem CID: 157265601
• Molecular Formula: C211H248F37NO23S8+6
• Molecular Weight: 4125.75 g/mol
• Exact Mass: 4122.54
• IUPAC Name: [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium
• SMILES: CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC(OCOC2CCCCC2)CC1.CC(F)(F)C(F)(F)CCOCOC1C2CC3CC(C2)CC1C3.CC1(C)OCC(CCC(=O)C(C)(F)F)O1.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCOC(C)OCCCS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCOC3C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/C31H33O3S.C29H31O2S.C21H27OS.C19H17S.C18H23OS.C18H15S.C16H25F6NO4S.C16H24F4O2.C13H16F2O3.C11H18F6O4S.C10H16F2O3.C9H3F17/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-3-7-26(8-4-1)32(27-9-5-2-6-10-27)28-13-11-25(12-14-28)30-20-31-29-23-16-21-15-22(18-23)19-24(29)17-21;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(17,18)15(19,20)16(21,22)28(24,25)23-9-7-13(8-10-23)27-11-26-12-5-3-2-4-6-12;1-15(17,18)16(19,20)2-3-21-9-22-14-12-5-10-4-11(7-12)8-13(14)6-10;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-4-20-8(2)21-6-5-7-22(18,19)11(16,17)10(14,15)9(3,12)13;1-9(2)14-6-7(15-9)4-5-8(13)10(3,11)12;1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h2-15,22-25H,16-21H2,1H3;1-14,21-24,29H,15-20H2;4-5,10-13,17H,1-3,6-9,14-16H2;2-15H,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;12-13H,2-11H2,1H3;10-14H,2-9H2,1H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1H3/q6*+1
• InChIKey: AXYNVNDBUJYUJH-UHFFFAOYSA-N
• XLogP: 56.14
• TPSA: 278.25 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 66
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4125.75
LogP ≤ 5	56.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium?

The IUPAC name of [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium (CID 157265601) is [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium.

What is the SMILES notation for [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium?

The canonical SMILES for [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium is CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC(OCOC2CCCCC2)CC1.CC(F)(F)C(F)(F)CCOCOC1C2CC3CC(C2)CC1C3.CC1(C)OCC(CCC(=O)C(C)(F)F)O1.CC1(OC(=O)COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)C2CC3CC(C2)CC1C3.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCOC(C)OCCCS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCOC3C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium?

The InChIKey is AXYNVNDBUJYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33O3S.C29H31O2S.C21H27OS.C19H17S.C18H23OS.C18H15S.C16H25F6NO4S.C16H24F4O2.C13H16F2O3.C11H18F6O4S.C10H16F2O3.C9H3F17/c1-31(24-17-22-16-23(19-24)20-25(31)18-22)34-30(32)21-33-26-12-14-29(15-13-26)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-3-7-26(8-4-1)32(27-9-5-2-6-10-27)28-13-11-25(12-14-28)30-20-31-29-23-16-21-15-22(18-23)19-24(29)17-21;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(17,18)15(19,20)16(21,22)28(24,25)23-9-7-13(8-10-23)27-11-26-12-5-3-2-4-6-12;1-15(17,18)16(19,20)2-3-21-9-22-14-12-5-10-4-11(7-12)8-13(14)6-10;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-4-20-8(2)21-6-5-7-22(18,19)11(16,17)10(14,15)9(3,12)13;1-9(2)14-6-7(15-9)4-5-8(13)10(3,11)12;1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h2-15,22-25H,16-21H2,1H3;1-14,21-24,29H,15-20H2;4-5,10-13,17H,1-3,6-9,14-16H2;2-15H,1H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;12-13H,2-11H2,1H3;10-14H,2-9H2,1H3;7-9H,2-6H2,1H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;1H3/q6*+1;;;;;;.

What are the key properties of [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium?

[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium has a molecular weight of 4125.75 g/mol, XLogP of 56.14, 66 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;4-(cyclohexyloxymethoxy)-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-difluoropentan-3-one;1-[3-(1-ethoxyethoxy)propylsulfonyl]-1,1,2,2,3,3-hexafluorobutane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononane;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;2-(3,3,4,4-tetrafluoropentoxymethoxy)adamantane;triphenylsulfanium is sourced from PubChem (CID 157265601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).