[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)

C124H84F22O19S13 — CID 159793138

IUPAC[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])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.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(-c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28OS2.C36H28S3.C36H28S2.2C6HF5O3S.4CHF3O3S/c2*1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;4*2-1(3,4)8(5,6)7/h2*1-28H;1-28H;2*(H,12,13,14);4*(H,5,6,7)/q3*+2;;;;;;/p-6
InChIKeyNIVCBDKPDJRCAF-UHFFFAOYSA-H
MW2712.84 g/mol
LogP32.02
Rot. Bonds25

About [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)

[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate) (PubChem CID 159793138) has the molecular formula C124H84F22O19S13 and a molecular weight of 2712.84 g/mol. Its IUPAC name is [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate).

Molecular Properties

Compound Name[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)
PubChem CID159793138
Molecular FormulaC124H84F22O19S13
Molecular Weight2712.84 g/mol
Exact Mass2710.16
IUPAC Name[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])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.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(-c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H28OS2.C36H28S3.C36H28S2.2C6HF5O3S.4CHF3O3S/c2*1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;4*2-1(3,4)8(5,6)7/h2*1-28H;1-28H;2*(H,12,13,14);4*(H,5,6,7)/q3*+2;;;;;;/p-6
InChIKeyNIVCBDKPDJRCAF-UHFFFAOYSA-H
XLogP32.02
TPSA352.43 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.84
LogP ≤ 532.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate) with MolForge

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Related Compounds

1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]benzene
CID 18996449
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]-4-[4-(trifluoromethylsulfonyl)phenoxy]benzene
CID 18996464
Benzene, 1,1'-sulfonylbis[4-[3-(trifluoromethyl)phenoxy]-
CID 19987043
1-(1,1,2,2,2-Pentafluoroethyl)-3-[4-[4-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 19987055
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[4-(4-Diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863639
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-(4-Diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate)
CID 21863660
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
[4-[(2-Methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2-(trifluoromethyl)benzenesulfonate
CID 21930781
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964680
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964743

Frequently Asked Questions

What is the IUPAC name of [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)?
The IUPAC name of [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate) (CID 159793138) is [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate).
What is the SMILES notation for [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)?
The canonical SMILES for [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])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.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(-c3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)?
The InChIKey is NIVCBDKPDJRCAF-UHFFFAOYSA-H. The full InChI is InChI=1S/C36H28OS2.C36H28S3.C36H28S2.2C6HF5O3S.4CHF3O3S/c2*1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;4*2-1(3,4)8(5,6)7/h2*1-28H;1-28H;2*(H,12,13,14);4*(H,5,6,7)/q3*+2;;;;;;/p-6.
What are the key properties of [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate)?
[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate) has a molecular weight of 2712.84 g/mol, XLogP of 32.02, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)phenyl]-diphenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tetrakis(trifluoromethanesulfonate) is sourced from PubChem (CID 159793138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).