4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium

C116H106F12O17S7 — CID 159267297

IUPAC4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
SMILESC=Cc1ccc(OC(=O)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CC(C)(C)c1cc(Sc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(C(C)(C)C)cc1O.CCc1cc(C(C)C)cc(C(C)C)c1C(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc([S+](c2ccccc2C)c2ccccc2C)cc1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22F4O4S.C21H21O3S.C21H21OS.C20H22F4O4S2.C18H15S.C15H8F4O5S/c1-6-11-7-12(9(2)3)8-13(10(4)5)14(11)20(26)15-16(22)18(24)21(30(27,28)29)19(25)17(15)23;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-16-8-4-6-10-20(16)23(21-11-7-5-9-17(21)2)19-14-12-18(22-3)13-15-19;1-19(2,3)9-8-12(10(7-11(9)25)20(4,5)6)29-17-13(21)15(23)18(30(26,27)28)16(24)14(17)22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-3-5-8(6-4-7)24-15(20)9-10(16)12(18)14(25(21,22)23)13(19)11(9)17/h7-10H,6H2,1-5H3,(H,27,28,29);4-15H,1-3H3;4-15H,1-3H3;7-8,25H,1-6H3,(H,26,27,28);1-15H;2-6H,1H2,(H,21,22,23)/q;2*+1;;+1;/p-3
InChIKeyKXGOXIJVVNEVHU-UHFFFAOYSA-K
MW2224.55 g/mol
LogP28.79
Rot. Bonds26

About 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium

4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium (PubChem CID 159267297) has the molecular formula C116H106F12O17S7 and a molecular weight of 2224.55 g/mol. Its IUPAC name is 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
PubChem CID159267297
Molecular FormulaC116H106F12O17S7
Molecular Weight2224.55 g/mol
Exact Mass2222.53
IUPAC Name4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
SMILESC=Cc1ccc(OC(=O)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CC(C)(C)c1cc(Sc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(C(C)(C)C)cc1O.CCc1cc(C(C)C)cc(C(C)C)c1C(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc([S+](c2ccccc2C)c2ccccc2C)cc1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22F4O4S.C21H21O3S.C21H21OS.C20H22F4O4S2.C18H15S.C15H8F4O5S/c1-6-11-7-12(9(2)3)8-13(10(4)5)14(11)20(26)15-16(22)18(24)21(30(27,28)29)19(25)17(15)23;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-16-8-4-6-10-20(16)23(21-11-7-5-9-17(21)2)19-14-12-18(22-3)13-15-19;1-19(2,3)9-8-12(10(7-11(9)25)20(4,5)6)29-17-13(21)15(23)18(30(26,27)28)16(24)14(17)22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-3-5-8(6-4-7)24-15(20)9-10(16)12(18)14(25(21,22)23)13(19)11(9)17/h7-10H,6H2,1-5H3,(H,27,28,29);4-15H,1-3H3;4-15H,1-3H3;7-8,25H,1-6H3,(H,26,27,28);1-15H;2-6H,1H2,(H,21,22,23)/q;2*+1;;+1;/p-3
InChIKeyKXGOXIJVVNEVHU-UHFFFAOYSA-K
XLogP28.79
TPSA272.12 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002224.55
LogP ≤ 528.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium with MolForge

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Related Compounds

[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]butyl]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58769498
3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]benzenesulfonic acid
CID 58795298
[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]-2-methylphenyl]-[3-(trioxidanylsulfanyl)phenyl]methanone
CID 59228894
[2,6-Difluoro-4-[4-(4-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylphenyl]phenyl] 4-pentylcyclohexane-1-carboxylate
CID 59342724
[2-[4-[3,5-Dimethyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylphenoxy]-5-(3-methoxysulfonyl-4-methylbenzoyl)phenyl]methanesulfonic acid
CID 88292882
(4-Methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene;1,2,4,5-tetrafluoro-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-(4-methoxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenoxy]phenyl]benzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]benzene
CID 123398461
Hexakis(carbon dioxide);2,5-dimethylbenzoic acid;5-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-2-methylbenzoic acid;2-methyl-5-(4-methylbenzoyl)benzoic acid;2-methyl-5-(4-methylphenoxy)benzoic acid;2-methyl-5-(4-methylphenyl)benzoic acid;2-methyl-5-(4-methylphenyl)sulfonylbenzoic acid
CID 157127959
3,5-Dimethylbenzoic acid;[5-[(3,4-dimethylphenyl)methyl]-2-methylphenyl] formate;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;5-methyl-2-(4-methyl-2-sulfophenyl)benzenesulfonic acid;1,2,3,4,5-pentamethylbenzene;1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene
CID 157280796
2,2-Dimethylpropyl 2-[2-(2,2-dimethylpropoxysulfonyl)-4-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]phenyl]-5-methylbenzenesulfonate;2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxysulfonyl)-4-[[4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]methyl]phenyl]-5-methylbenzenesulfonate
CID 157548113
2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;4-tert-butylbenzoate;(4-tert-butylphenyl)-diphenylsulfanium;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium);bis(2,4,6-tri(propan-2-yl)benzenesulfonate)
CID 157550170
Bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;1,2-dimethyl-4-(4-methylphenoxy)benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157710345
Hexakis(carbon dioxide);2,5-dimethylbenzoic acid;5-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-2-methylbenzoic acid;methane;2-methyl-5-(4-methylbenzoyl)benzoic acid;2-methyl-5-(4-methylphenoxy)benzoic acid;2-methyl-5-(4-methylphenyl)benzoic acid;2-methyl-5-(4-methylphenyl)sulfonylbenzoic acid
CID 157722717

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The IUPAC name of 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium (CID 159267297) is 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium.
What is the SMILES notation for 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The canonical SMILES for 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium is C=Cc1ccc(OC(=O)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CC(C)(C)c1cc(Sc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(C(C)(C)C)cc1O.CCc1cc(C(C)C)cc(C(C)C)c1C(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc([S+](c2ccccc2C)c2ccccc2C)cc1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The InChIKey is KXGOXIJVVNEVHU-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H22F4O4S.C21H21O3S.C21H21OS.C20H22F4O4S2.C18H15S.C15H8F4O5S/c1-6-11-7-12(9(2)3)8-13(10(4)5)14(11)20(26)15-16(22)18(24)21(30(27,28)29)19(25)17(15)23;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-16-8-4-6-10-20(16)23(21-11-7-5-9-17(21)2)19-14-12-18(22-3)13-15-19;1-19(2,3)9-8-12(10(7-11(9)25)20(4,5)6)29-17-13(21)15(23)18(30(26,27)28)16(24)14(17)22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-3-5-8(6-4-7)24-15(20)9-10(16)12(18)14(25(21,22)23)13(19)11(9)17/h7-10H,6H2,1-5H3,(H,27,28,29);4-15H,1-3H3;4-15H,1-3H3;7-8,25H,1-6H3,(H,26,27,28);1-15H;2-6H,1H2,(H,21,22,23)/q;2*+1;;+1;/p-3.
What are the key properties of 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium has a molecular weight of 2224.55 g/mol, XLogP of 28.79, 26 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-(4-ethenylphenoxy)carbonyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-ethyl-4,6-di(propan-2-yl)benzoyl]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methoxyphenyl)-bis(2-methylphenyl)sulfanium;triphenylsulfanium;tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 159267297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).