1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)

C143H169F18N2O26S11+ — CID 158068181

IUPAC1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C28H38F6NO7S3.C27H36F6O6S2.2C21H21O3S.C18H15S/c2*1-43(36,37)35-44(38,39)27(31,32)26(29,30)28(33,34)45(40,41)42-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;2*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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*17-21H,2-16H2,1H3;16-20H,1-15H2,(H,34,35,36);2*4-15H,1-3H3;1-15H/q2*-1;;3*+1
InChIKeyFLMMQVBCCJGJJT-UHFFFAOYSA-N
MW3026.61 g/mol
LogP38.69
Rot. Bonds46

About 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)

1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium) (PubChem CID 158068181) has the molecular formula C143H169F18N2O26S11+ and a molecular weight of 3026.61 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium).

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)
PubChem CID158068181
Molecular FormulaC143H169F18N2O26S11+
Molecular Weight3026.61 g/mol
Exact Mass3023.86
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C28H38F6NO7S3.C27H36F6O6S2.2C21H21O3S.C18H15S/c2*1-43(36,37)35-44(38,39)27(31,32)26(29,30)28(33,34)45(40,41)42-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;2*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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*17-21H,2-16H2,1H3;16-20H,1-15H2,(H,34,35,36);2*4-15H,1-3H3;1-15H/q2*-1;;3*+1
InChIKeyFLMMQVBCCJGJJT-UHFFFAOYSA-N
XLogP38.69
TPSA404.62 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds46
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003026.61
LogP ≤ 538.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium) with MolForge

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Related Compounds

4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene
CID 58291356
2-[2-Fluoro-4-[5-fluoro-2-[4-fluoro-2-[3-fluoro-4-(2-methoxy-5-methylphenyl)phenyl]phenyl]sulfonylphenyl]phenyl]-1-methoxy-4-methylbenzene
CID 68089253
2-[3-Fluoro-4-[5-fluoro-2-[4-fluoro-2-[2-fluoro-4-(2-methoxy-5-methylphenyl)phenyl]phenyl]sulfonylphenyl]phenyl]-1-methoxy-4-methylbenzene
CID 68932844
[2-[4-[3,5-Dimethyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]-2,6-dimethylphenoxy]-5-methylsulfonylphenyl]methanesulfonic acid
CID 88292900
[2-[2-Methyl-4-[3-methyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]-5-methylsulfonylphenyl]methanesulfonic acid
CID 88292924
1-[4-[4-[2-[4-[4-(4-Benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 90830034
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;3-[2-methoxy-5-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]phenyl]benzenesulfonic acid;sulfur trioxide
CID 123615322
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;4-[5-[2-(4-methoxy-3-phenylphenyl)propan-2-yl]-2-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzenesulfonic acid;sulfur trioxide
CID 123669521
1,3,5-Tricyclohexyl-2-(1,1,2,2,3,3-hexafluoro-3-hydroxysulfanylpropyl)sulfanyloxybenzene;tris(3-methoxyphenyl)sulfanium
CID 144560835
1,5-Dicyclohexyl-3-hexan-3-yl-2-methoxybenzene;(5-methoxy-2-methylphenyl)-bis(3-methoxyphenyl)sulfanium;1,1,2,2,3-pentafluoropropane-1,3-dithiol
CID 144690517
[3-[1,1,2,2,3,3-Hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyloxy-5-[(5-methoxycyclohexa-2,4-dien-1-yl)-(3-methoxyphenyl)sulfonio]phenyl]-methyloxidanium
CID 144692166
[3-[2-[3,5-Di(propan-2-yl)-4-(2,3,5,6-tetrafluoro-4-sulfophenoxy)phenyl]propyl]phenyl]-(3-hydroxyphenyl)-phenylsulfanium
CID 145622065

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium) (CID 158068181) is 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium).
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium) is COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)?
The InChIKey is FLMMQVBCCJGJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H38F6NO7S3.C27H36F6O6S2.2C21H21O3S.C18H15S/c2*1-43(36,37)35-44(38,39)27(31,32)26(29,30)28(33,34)45(40,41)42-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;2*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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*17-21H,2-16H2,1H3;16-20H,1-15H2,(H,34,35,36);2*4-15H,1-3H3;1-15H/q2*-1;;3*+1.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium)?
1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium) has a molecular weight of 3026.61 g/mol, XLogP of 38.69, 46 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-methylsulfonylazanide);triphenylsulfanium;bis(tris(3-methoxyphenyl)sulfanium) is sourced from PubChem (CID 158068181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).