1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)

C121H119F28NO17S9+2 — CID 157138254

IUPAC1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)
SMILESCC(C)c1cc(C(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C(C)C)c1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F
InChIInChI=1S/C30H36F4O4S.C19H24F9NO7S3.C18H24F6O6S2.3C18H12F3S/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)36-39(34,35)18(24,25)16(20,21)17(22,23)37(30,31)29-38(32,33)19(26,27)28;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)30-32(28,29)18(23,24)16(19,20)17(21,22)31(25,26)27;3*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h16-20H,1-15H2,(H,35,36,37);7-11,29H,1-6H3;7-11H,1-6H3,(H,25,26,27);3*1-12H/q;;;3*+1/p-1
InChIKeyAJWOXIRXEHDLCF-UHFFFAOYSA-M
MW2679.82 g/mol
LogP35.51
Rot. Bonds35

About 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)

1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium) (PubChem CID 157138254) has the molecular formula C121H119F28NO17S9+2 and a molecular weight of 2679.82 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium).

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)
PubChem CID157138254
Molecular FormulaC121H119F28NO17S9+2
Molecular Weight2679.82 g/mol
Exact Mass2677.55
IUPAC Name1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)
SMILESCC(C)c1cc(C(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C(C)C)c1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F
InChIInChI=1S/C30H36F4O4S.C19H24F9NO7S3.C18H24F6O6S2.3C18H12F3S/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)36-39(34,35)18(24,25)16(20,21)17(22,23)37(30,31)29-38(32,33)19(26,27)28;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)30-32(28,29)18(23,24)16(19,20)17(21,22)31(25,26)27;3*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h16-20H,1-15H2,(H,35,36,37);7-11,29H,1-6H3;7-11H,1-6H3,(H,25,26,27);3*1-12H/q;;;3*+1/p-1
InChIKeyAJWOXIRXEHDLCF-UHFFFAOYSA-M
XLogP35.51
TPSA287.85 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002679.82
LogP ≤ 535.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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': '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-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium) (CID 157138254) is 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium).
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium) is CC(C)c1cc(C(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C(C)C)c1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)?
The InChIKey is AJWOXIRXEHDLCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H36F4O4S.C19H24F9NO7S3.C18H24F6O6S2.3C18H12F3S/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)36-39(34,35)18(24,25)16(20,21)17(22,23)37(30,31)29-38(32,33)19(26,27)28;1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)30-32(28,29)18(23,24)16(19,20)17(21,22)31(25,26)27;3*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h16-20H,1-15H2,(H,35,36,37);7-11,29H,1-6H3;7-11H,1-6H3,(H,25,26,27);3*1-12H/q;;;3*+1/p-1.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium)?
1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium) has a molecular weight of 2679.82 g/mol, XLogP of 35.51, 35 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonic acid;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;[2,4,6-tri(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;tris(tris(4-fluorophenyl)sulfanium) is sourced from PubChem (CID 157138254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).