[4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate

C202H162F76O32S14 — CID 161291327

IUPAC[4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate
SMILESCC(C)(C)C(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1ccc(S(=O)(=O)[O-])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)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)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/4C23H23O2S.C23H23OS.C21H21OS.C20H18OS.4C8HF17O3S.C7H8O3S.C6HF5O3S.CHF3O3S/c4*1-23(2,3)25-22(24)18-14-16-21(17-15-18)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-23(2,3)22(24)18-14-16-21(17-15-18)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-14-20(15-17(2)21(16)22-3)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;4*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;1-6-2-4-7(5-3-6)11(8,9)10;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2-1(3,4)8(5,6)7/h4*4-17H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;3-14H,1-2H3;4*(H,26,27,28);2-5H,1H3,(H,8,9,10);(H,12,13,14);(H,5,6,7)/q6*+1;;;;;;;;/p-6
InChIKeyAUFBUWWVJVPMKB-UHFFFAOYSA-H
MW4994.27 g/mol
LogP59.70
Rot. Bonds57

About [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate

[4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate (PubChem CID 161291327) has the molecular formula C202H162F76O32S14 and a molecular weight of 4994.27 g/mol. Its IUPAC name is [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate.

Molecular Properties

Compound Name[4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate
PubChem CID161291327
Molecular FormulaC202H162F76O32S14
Molecular Weight4994.27 g/mol
Exact Mass4990.59
IUPAC Name[4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate
SMILESCC(C)(C)C(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1ccc(S(=O)(=O)[O-])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)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)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/4C23H23O2S.C23H23OS.C21H21OS.C20H18OS.4C8HF17O3S.C7H8O3S.C6HF5O3S.CHF3O3S/c4*1-23(2,3)25-22(24)18-14-16-21(17-15-18)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-23(2,3)22(24)18-14-16-21(17-15-18)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-14-20(15-17(2)21(16)22-3)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;4*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;1-6-2-4-7(5-3-6)11(8,9)10;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2-1(3,4)8(5,6)7/h4*4-17H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;3-14H,1-2H3;4*(H,26,27,28);2-5H,1H3,(H,8,9,10);(H,12,13,14);(H,5,6,7)/q6*+1;;;;;;;;/p-6
InChIKeyAUFBUWWVJVPMKB-UHFFFAOYSA-H
XLogP59.70
TPSA552.13 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds57
Heavy Atoms324
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004994.27
LogP ≤ 559.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate?
The IUPAC name of [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate (CID 161291327) is [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate.
What is the SMILES notation for [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate?
The canonical SMILES for [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate is CC(C)(C)C(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1O.Cc1ccc(S(=O)(=O)[O-])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)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)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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate?
The InChIKey is AUFBUWWVJVPMKB-UHFFFAOYSA-H. The full InChI is InChI=1S/4C23H23O2S.C23H23OS.C21H21OS.C20H18OS.4C8HF17O3S.C7H8O3S.C6HF5O3S.CHF3O3S/c4*1-23(2,3)25-22(24)18-14-16-21(17-15-18)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-23(2,3)22(24)18-14-16-21(17-15-18)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-14-20(15-17(2)21(16)22-3)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19;1-15-13-19(14-16(2)20(15)21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;4*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;1-6-2-4-7(5-3-6)11(8,9)10;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2-1(3,4)8(5,6)7/h4*4-17H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;3-14H,1-2H3;4*(H,26,27,28);2-5H,1H3,(H,8,9,10);(H,12,13,14);(H,5,6,7)/q6*+1;;;;;;;;/p-6.
What are the key properties of [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate?
[4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate has a molecular weight of 4994.27 g/mol, XLogP of 59.70, 57 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropanoyl)phenyl]-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-methylbenzenesulfonate;tetrakis([4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-diphenylsulfanium);2,3,4,5,6-pentafluorobenzenesulfonate;trifluoromethanesulfonate is sourced from PubChem (CID 161291327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).