C340H413F18NO19S13+8 — CID 158477453
[4-(1-adamantyl)phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;(3-methoxyphenyl)-bis(3-methylphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;pentakis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris[4-(ethoxymethyl)phenyl]sulfanium (PubChem CID 158477453) has the molecular formula C340H413F18NO19S13+8 and a molecular weight of 5576.87 g/mol. Its IUPAC name is [4-(1-adamantyl)phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;(3-methoxyphenyl)-bis(3-methylphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;pentakis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris[4-(ethoxymethyl)phenyl]sulfanium.
| Compound Name | [4-(1-adamantyl)phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;(3-methoxyphenyl)-bis(3-methylphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;pentakis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris[4-(ethoxymethyl)phenyl]sulfanium |
|---|---|
| PubChem CID | 158477453 |
| Molecular Formula | C340H413F18NO19S13+8 |
| Molecular Weight | 5576.87 g/mol |
| Exact Mass | 5571.74 |
| IUPAC Name | [4-(1-adamantyl)phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;1-(4-cyclohexyloxynaphthalen-1-yl)thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;(3-methoxyphenyl)-bis(3-methylphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;pentakis(1,3,5-tricyclohexyl-2-methylbenzene);tris(triphenylsulfanium);tris[4-(ethoxymethyl)phenyl]sulfanium |
| SMILES | CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.CCOCc1ccc([S+](c2ccc(COCC)cc2)c2ccc(COCC)cc2)cc1.COc1cccc([S+](c2cccc(C)c2)c2cccc(C)c2)c1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OC3CCCCC3)c2c1 |
| InChI | InChI=1S/C27H36F6O5S2.C27H33O3S.5C25H38.C21H21OS.C20H22F6O3S.C20H17OS.C20H25OS.C18H13S.3C18H15S.C8H11F6NO5S2/c28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;1-4-28-19-22-7-13-25(14-8-22)31(26-15-9-23(10-16-26)20-29-5-2)27-17-11-24(12-18-27)21-30-6-3;5*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;1-16-7-4-10-19(13-16)23(20-11-5-8-17(2)14-20)21-12-6-9-18(15-21)22-3;1-17(21,22)19(23,24)20(25,26)30(27,28)29-16-4-2-15(3-5-16)18-9-12-6-13(10-18)8-14(7-12)11-18;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-6(10,8(13,14)22(18,19)20)7(11,12)21(16,17)15-4-2-1-3-5-15/h16-20H,1-15H2,(H,36,37,38);7-18H,4-6,19-21H2,1-3H3;5*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2-5,12-14H,6-11H2,1H3;1-12,21H,13-14H2;4-5,10-13,16H,1-3,6-9,14-15H2;1-13H;3*1-15H;1-5H2,(H,18,19,20)/q;+1;;;;;;+1;;6*+1; |
| InChIKey | HHCLTNPHTNBJOU-UHFFFAOYSA-N |
| XLogP | 98.72 |
| TPSA | 290.01 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 391 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5576.87 |
| LogP ≤ 5 | 98.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |