C304H256Cl4F108O39S24 — CID 157498295
bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-[4-(hydroxymethyl)phenyl]sulfanium;bis(4-chlorophenyl)-phenylsulfanium;[3,4-bis(hydroxymethyl)phenyl]-diphenylsulfanium;bis(4-methylphenyl)-phenylsulfanium;bis((4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium);bis((4-tert-butylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;nonakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(1,1,2,2,2-pentafluoroethanesulfonate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium (PubChem CID 157498295) has the molecular formula C304H256Cl4F108O39S24 and a molecular weight of 7496.56 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-[4-(hydroxymethyl)phenyl]sulfanium;bis(4-chlorophenyl)-phenylsulfanium;[3,4-bis(hydroxymethyl)phenyl]-diphenylsulfanium;bis(4-methylphenyl)-phenylsulfanium;bis((4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium);bis((4-tert-butylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;nonakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(1,1,2,2,2-pentafluoroethanesulfonate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium.
| Compound Name | bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-[4-(hydroxymethyl)phenyl]sulfanium;bis(4-chlorophenyl)-phenylsulfanium;[3,4-bis(hydroxymethyl)phenyl]-diphenylsulfanium;bis(4-methylphenyl)-phenylsulfanium;bis((4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium);bis((4-tert-butylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;nonakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(1,1,2,2,2-pentafluoroethanesulfonate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium |
|---|---|
| PubChem CID | 157498295 |
| Molecular Formula | C304H256Cl4F108O39S24 |
| Molecular Weight | 7496.56 g/mol |
| Exact Mass | 7488.84 |
| IUPAC Name | bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-[4-(hydroxymethyl)phenyl]sulfanium;bis(4-chlorophenyl)-phenylsulfanium;[3,4-bis(hydroxymethyl)phenyl]-diphenylsulfanium;bis(4-methylphenyl)-phenylsulfanium;bis((4-tert-butylphenyl)-bis(4-ethylphenyl)sulfanium);bis((4-tert-butylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;nonakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(1,1,2,2,2-pentafluoroethanesulfonate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium |
| SMILES | CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCc1ccc([S+](c2ccc(CC)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCc1ccc([S+](c2ccc(CC)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Clc1ccc([S+](c2ccccc2)c2ccc(Cl)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)F.OCc1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.OCc1ccc([S+](c2ccccc2)c2ccccc2)cc1CO.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/3C26H31S.2C22H23S.C21H21S.C20H19O2S.C20H19S.C19H15Cl2OS.C18H13Cl2S.2C18H15S.C8HF17O3S.9C4HF9O3S.2C2HF5O3S/c1-25(2,3)20-12-16-23(17-13-20)27(22-10-8-7-9-11-22)24-18-14-21(15-19-24)26(4,5)6;2*1-6-20-8-14-23(15-9-20)27(24-16-10-21(7-2)11-17-24)25-18-12-22(13-19-25)26(3,4)5;2*1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;21-14-16-11-12-20(13-17(16)15-22)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;20-15-3-9-18(10-4-15)23(19-11-5-16(21)6-12-19)17-7-1-14(13-22)2-8-17;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;9*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;2*3-1(4,5)2(6,7)11(8,9)10/h7-19H,1-6H3;2*8-19H,6-7H2,1-5H3;2*4-17H,1-3H3;4-15H,1-3H3;1-13,21-22H,14-15H2;3-15H,1-2H3;1-12,22H,13H2;1-13H;2*1-15H;(H,26,27,28);9*(H,14,15,16);2*(H,8,9,10)/q12*+1;;;;;;;;;;;;/p-12 |
| InChIKey | BYCDQEOMOKJRDM-UHFFFAOYSA-B |
| XLogP | 93.54 |
| TPSA | 747.09 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 79 |
| Heavy Atoms | 479 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 7496.56 |
| LogP ≤ 5 | 93.54 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 39 |