5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium

C363H320F8O14S18+16 — CID 158014632

IUPAC5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium
SMILESCC(C)(C)c1ccc(-[s+]2ccc3ccccc32)cc1.CC(C)(C)c1ccc([S+](c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.CCCCCCOc1c(C)cc(-[s+]2c3ccccc3c3ccccc32)cc1C.COc1c(C)cc(-[s+]2c3ccccc3c3ccccc32)cc1C.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1O.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.FC(F)(F)c1cccc(-[s+]2c3ccccc3c3ccccc32)c1.Fc1cc(F)cc(-[s+]2c3ccccc3c3ccccc32)c1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=c1c2ccccc2[s+](-c2ccccc2)c2ccc(C(F)(F)F)cc12.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C33H35O3S.C31H33O2S.C30H21S.C30H27S.C26H29OS.C24H25O2S2.C23H23O2S2.C21H19OS.C20H12F3OS.C20H16OS.C19H12F3S.C18H11F2S.C18H13OS.C18H13S.C18H19S.C14H11S/c1-20-12-26(37-29-10-6-4-8-27(29)28-9-5-7-11-30(28)37)13-21(2)32(20)35-19-31(34)36-33(3)24-15-22-14-23(17-24)18-25(33)16-22;1-19-11-25(34-28-9-5-3-7-26(28)27-8-4-6-10-29(27)34)12-20(2)30(19)32-18-33-31-23-14-21-13-22(16-23)17-24(31)15-21;1-4-10-25-19-28(16-13-22(25)7-1)31(29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-30(2,3)26-14-18-27(19-15-26)31(28-16-12-22-8-4-6-10-24(22)20-28)29-17-13-23-9-5-7-11-25(23)21-29;1-4-5-6-11-16-27-26-19(2)17-21(18-20(26)3)28-24-14-9-7-12-22(24)23-13-8-10-15-25(23)28;25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;24-27(25,22-13-7-8-14-22)23-17-15-21(16-18-23)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20;1-14-12-16(13-15(2)21(14)22-3)23-19-10-6-4-8-17(19)18-9-5-7-11-20(18)23;21-20(22,23)13-10-11-18-16(12-13)19(24)15-8-4-5-9-17(15)25(18)14-6-2-1-3-7-14;1-13-11-15(12-14(2)20(13)21)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;20-19(21,22)13-6-5-7-14(12-13)23-17-10-3-1-8-15(17)16-9-2-4-11-18(16)23;19-12-9-13(20)11-14(10-12)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-18(2,3)15-8-10-16(11-9-15)19-13-12-14-6-4-5-7-17(14)19;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15/h4-13,22-25H,14-19H2,1-3H3;3-12,21-24,31H,13-18H2,1-2H3;1-21H;4-21H,1-3H3;7-10,12-15,17-18H,4-6,11,16H2,1-3H3;1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;1-6,9-12,15-18,22H,7-8,13-14H2;4-13H,1-3H3;1-12H;3-12H,1-2H3;1-12H;1-11H;1-13H;1-13H;4-13H,1-3H3;1-11H/q9*+1;;6*+1/p+1
InChIKeyFFHQKZATCZSRRC-UHFFFAOYSA-O
MW5635.73 g/mol
LogP105.69
Rot. Bonds43

About 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium

5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium (PubChem CID 158014632) has the molecular formula C363H320F8O14S18+16 and a molecular weight of 5635.73 g/mol. Its IUPAC name is 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium.

Molecular Properties

Compound Name5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium
PubChem CID158014632
Molecular FormulaC363H320F8O14S18+16
Molecular Weight5635.73 g/mol
Exact Mass5629.91
IUPAC Name5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium
SMILESCC(C)(C)c1ccc(-[s+]2ccc3ccccc32)cc1.CC(C)(C)c1ccc([S+](c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.CCCCCCOc1c(C)cc(-[s+]2c3ccccc3c3ccccc32)cc1C.COc1c(C)cc(-[s+]2c3ccccc3c3ccccc32)cc1C.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1O.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.FC(F)(F)c1cccc(-[s+]2c3ccccc3c3ccccc32)c1.Fc1cc(F)cc(-[s+]2c3ccccc3c3ccccc32)c1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=c1c2ccccc2[s+](-c2ccccc2)c2ccc(C(F)(F)F)cc12.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C33H35O3S.C31H33O2S.C30H21S.C30H27S.C26H29OS.C24H25O2S2.C23H23O2S2.C21H19OS.C20H12F3OS.C20H16OS.C19H12F3S.C18H11F2S.C18H13OS.C18H13S.C18H19S.C14H11S/c1-20-12-26(37-29-10-6-4-8-27(29)28-9-5-7-11-30(28)37)13-21(2)32(20)35-19-31(34)36-33(3)24-15-22-14-23(17-24)18-25(33)16-22;1-19-11-25(34-28-9-5-3-7-26(28)27-8-4-6-10-29(27)34)12-20(2)30(19)32-18-33-31-23-14-21-13-22(16-23)17-24(31)15-21;1-4-10-25-19-28(16-13-22(25)7-1)31(29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-30(2,3)26-14-18-27(19-15-26)31(28-16-12-22-8-4-6-10-24(22)20-28)29-17-13-23-9-5-7-11-25(23)21-29;1-4-5-6-11-16-27-26-19(2)17-21(18-20(26)3)28-24-14-9-7-12-22(24)23-13-8-10-15-25(23)28;25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;24-27(25,22-13-7-8-14-22)23-17-15-21(16-18-23)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20;1-14-12-16(13-15(2)21(14)22-3)23-19-10-6-4-8-17(19)18-9-5-7-11-20(18)23;21-20(22,23)13-10-11-18-16(12-13)19(24)15-8-4-5-9-17(15)25(18)14-6-2-1-3-7-14;1-13-11-15(12-14(2)20(13)21)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;20-19(21,22)13-6-5-7-14(12-13)23-17-10-3-1-8-15(17)16-9-2-4-11-18(16)23;19-12-9-13(20)11-14(10-12)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-18(2,3)15-8-10-16(11-9-15)19-13-12-14-6-4-5-7-17(14)19;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15/h4-13,22-25H,14-19H2,1-3H3;3-12,21-24,31H,13-18H2,1-2H3;1-21H;4-21H,1-3H3;7-10,12-15,17-18H,4-6,11,16H2,1-3H3;1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;1-6,9-12,15-18,22H,7-8,13-14H2;4-13H,1-3H3;1-12H;3-12H,1-2H3;1-12H;1-11H;1-13H;1-13H;4-13H,1-3H3;1-11H/q9*+1;;6*+1/p+1
InChIKeyFFHQKZATCZSRRC-UHFFFAOYSA-O
XLogP105.69
TPSA187.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds43
Heavy Atoms403
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005635.73
LogP ≤ 5105.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium with MolForge

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Related Compounds

5-[4-(2-Adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;5-phenyldibenzothiophen-5-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one
CID 157813243
Bis(4-tert-butylphenyl)iodanium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;6-(2-cyclohexylpropan-2-yloxy)-2,2-difluorohexan-3-one;dibutyl-(2-methyl-1-oxo-1-phenylpropan-2-yl)sulfanium;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-difluoropropanoate;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;(1-methylcyclohexyl) 6,6-difluoro-5-oxoheptanoate;3-methyl-3-(3,3,4,4-tetrafluoropentoxy)pentane;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;3,3,4,4-tetrafluoro-1-(methoxymethoxy)pentane;2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzenesulfonate;2-(3,3,4,4-tetrafluoropentoxy)propan-2-ylcyclohexane;triphenylsulfanium
CID 157834556
5-[4-(2-Adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one
CID 158652372
5-[4-[2-(2-Adamantyloxy)ethyl]-3,5-dimethylphenyl]dibenzothiophen-5-ium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one
CID 160633901
1-Butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;1-(4-butan-2-ylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 160769795
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;dimethyl(phenyl)sulfanium;(4-fluorophenyl)-diphenylsulfanium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium
CID 157665306

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium?
The IUPAC name of 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium (CID 158014632) is 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium.
What is the SMILES notation for 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium?
The canonical SMILES for 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium is CC(C)(C)c1ccc(-[s+]2ccc3ccccc32)cc1.CC(C)(C)c1ccc([S+](c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.CCCCCCOc1c(C)cc(-[s+]2c3ccccc3c3ccccc32)cc1C.COc1c(C)cc(-[s+]2c3ccccc3c3ccccc32)cc1C.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1O.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc(-[s+]2c3ccccc3c3ccccc32)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.FC(F)(F)c1cccc(-[s+]2c3ccccc3c3ccccc32)c1.Fc1cc(F)cc(-[s+]2c3ccccc3c3ccccc32)c1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCC1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.O=c1c2ccccc2[s+](-c2ccccc2)c2ccc(C(F)(F)F)cc12.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2ccc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium?
The InChIKey is FFHQKZATCZSRRC-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H35O3S.C31H33O2S.C30H21S.C30H27S.C26H29OS.C24H25O2S2.C23H23O2S2.C21H19OS.C20H12F3OS.C20H16OS.C19H12F3S.C18H11F2S.C18H13OS.C18H13S.C18H19S.C14H11S/c1-20-12-26(37-29-10-6-4-8-27(29)28-9-5-7-11-30(28)37)13-21(2)32(20)35-19-31(34)36-33(3)24-15-22-14-23(17-24)18-25(33)16-22;1-19-11-25(34-28-9-5-3-7-26(28)27-8-4-6-10-29(27)34)12-20(2)30(19)32-18-33-31-23-14-21-13-22(16-23)17-24(31)15-21;1-4-10-25-19-28(16-13-22(25)7-1)31(29-17-14-23-8-2-5-11-26(23)20-29)30-18-15-24-9-3-6-12-27(24)21-30;1-30(2,3)26-14-18-27(19-15-26)31(28-16-12-22-8-4-6-10-24(22)20-28)29-17-13-23-9-5-7-11-25(23)21-29;1-4-5-6-11-16-27-26-19(2)17-21(18-20(26)3)28-24-14-9-7-12-22(24)23-13-8-10-15-25(23)28;25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;24-27(25,22-13-7-8-14-22)23-17-15-21(16-18-23)26(19-9-3-1-4-10-19)20-11-5-2-6-12-20;1-14-12-16(13-15(2)21(14)22-3)23-19-10-6-4-8-17(19)18-9-5-7-11-20(18)23;21-20(22,23)13-10-11-18-16(12-13)19(24)15-8-4-5-9-17(15)25(18)14-6-2-1-3-7-14;1-13-11-15(12-14(2)20(13)21)22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22;20-19(21,22)13-6-5-7-14(12-13)23-17-10-3-1-8-15(17)16-9-2-4-11-18(16)23;19-12-9-13(20)11-14(10-12)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-18(2,3)15-8-10-16(11-9-15)19-13-12-14-6-4-5-7-17(14)19;1-2-7-13(8-3-1)15-11-10-12-6-4-5-9-14(12)15/h4-13,22-25H,14-19H2,1-3H3;3-12,21-24,31H,13-18H2,1-2H3;1-21H;4-21H,1-3H3;7-10,12-15,17-18H,4-6,11,16H2,1-3H3;1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;1-6,9-12,15-18,22H,7-8,13-14H2;4-13H,1-3H3;1-12H;3-12H,1-2H3;1-12H;1-11H;1-13H;1-13H;4-13H,1-3H3;1-11H/q9*+1;;6*+1/p+1.
What are the key properties of 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium?
5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium has a molecular weight of 5635.73 g/mol, XLogP of 105.69, 43 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]dibenzothiophen-5-ium;1-(4-tert-butylphenyl)-1-benzothiophen-1-ium;(4-tert-butylphenyl)-dinaphthalen-2-ylsulfanium;(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;(4-cyclopentylsulfonylphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenol;5-(3,5-difluorophenyl)dibenzothiophen-5-ium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;5-(4-methoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(2-methyl-2-adamantyl) 2-(4-dibenzothiophen-5-ium-5-yl-2,6-dimethylphenoxy)acetate;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-2-(trifluoromethyl)thioxanthen-10-ium-9-one;5-[3-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;trinaphthalen-2-ylsulfanium is sourced from PubChem (CID 158014632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).