C149H135ClF16NO19S16Sb+2 — CID 160739975
8-anilinonaphthalene-2-sulfonate;anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;bis(2,3,4,5,6-pentafluorobenzenesulfonate);pentafluoro-λ5-stibane;phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;fluoride (PubChem CID 160739975) has the molecular formula C149H135ClF16NO19S16Sb+2 and a molecular weight of 3217.96 g/mol. Its IUPAC name is 8-anilinonaphthalene-2-sulfonate;anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;bis(2,3,4,5,6-pentafluorobenzenesulfonate);pentafluoro-λ5-stibane;phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;fluoride.
| Compound Name | 8-anilinonaphthalene-2-sulfonate;anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;bis(2,3,4,5,6-pentafluorobenzenesulfonate);pentafluoro-λ5-stibane;phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;fluoride |
|---|---|
| PubChem CID | 160739975 |
| Molecular Formula | C149H135ClF16NO19S16Sb+2 |
| Molecular Weight | 3217.96 g/mol |
| Exact Mass | 3213.36 |
| IUPAC Name | 8-anilinonaphthalene-2-sulfonate;anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;bis(2,3,4,5,6-pentafluorobenzenesulfonate);pentafluoro-λ5-stibane;phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;fluoride |
| SMILES | C.C.CCOc1ccc([SH+]c2ccc(C)cc2)cc1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.C[S+](CCl)c1ccccc1.F[Sb](F)(F)(F)F.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1ccc2cccc(Nc3ccccc3)c2c1.O=S(=O)([O-])c1cccc2cc3ccccc3cc12.Sc1ccc([SH+]c2ccccc2)cc1.Sc1ccc([SH+]c2ccccc2)cc1.[F-].[SH2+]c1ccccc1.[SH2+]c1ccccc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C18H14S2.C16H13NO3S.C16H14O5S.C15H16OS.C14H10O3S.C12H15OS.2C12H10S2.C8H10ClS.2C6HF5O3S.2C6H6S.2CH4.6FH.Sb/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-16-13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14;15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-10(7-9)8-5-3-2-4-6-8;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2*7-6-4-2-1-3-5-6;;;;;;;;;/h1-14H;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);4-11H,3H2,1-2H3;1-9H,(H,15,16,17);1-3,6-7H,4-5,8-10H2;2*1-9,13H;2-6H,7H2,1H3;2*(H,12,13,14);2*1-5,7H;2*1H4;6*1H;/q;;;;;+1;;;+1;;;;;;;;;;;;;+5/p-5 |
| InChIKey | RVLGJLKPMSDGNL-UHFFFAOYSA-I |
| XLogP | 33.87 |
| TPSA | 342.79 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3217.96 |
| LogP ≤ 5 | 33.87 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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