bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

C150H141F12O3S7+7 — CID 158650902

IUPACbis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.CC(C)c1cc(C(C)C)c([S+](c2ccccc2)c2ccccc2)c(C(C)C)c1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1cccc(C)c1[S+](c1ccccc1)c1c(C)cccc1C.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.OC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H33S.C22H17F6O2S.C22H22FOS.C22H23S.C21H21S.C18H12F3S.C18H13F2S/c1-19(2)22-17-25(20(3)4)27(26(18-22)21(5)6)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24;23-21(24,25)20(29,22(26,27)28)15-30-16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-22(2,3)24-21-15-14-19(16-20(21)23)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18;1-16-10-8-11-17(2)21(16)23(20-14-6-5-7-15-20)22-18(3)12-9-13-19(22)4;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h7-21H,1-6H3;1-14,29H,15H2;4-16H,1-3H3;5-15H,1-4H3;4-15H,1-3H3;1-12H;1-13H/q7*+1
InChIKeyIBNSSMBFRSMBBD-UHFFFAOYSA-N
MW2444.22 g/mol
LogP42.25
Rot. Bonds28

About bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 158650902) has the molecular formula C150H141F12O3S7+7 and a molecular weight of 2444.22 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
PubChem CID158650902
Molecular FormulaC150H141F12O3S7+7
Molecular Weight2444.22 g/mol
Exact Mass2441.87
IUPAC Namebis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.CC(C)c1cc(C(C)C)c([S+](c2ccccc2)c2ccccc2)c(C(C)C)c1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1cccc(C)c1[S+](c1ccccc1)c1c(C)cccc1C.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.OC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H33S.C22H17F6O2S.C22H22FOS.C22H23S.C21H21S.C18H12F3S.C18H13F2S/c1-19(2)22-17-25(20(3)4)27(26(18-22)21(5)6)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24;23-21(24,25)20(29,22(26,27)28)15-30-16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-22(2,3)24-21-15-14-19(16-20(21)23)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18;1-16-10-8-11-17(2)21(16)23(20-14-6-5-7-15-20)22-18(3)12-9-13-19(22)4;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h7-21H,1-6H3;1-14,29H,15H2;4-16H,1-3H3;5-15H,1-4H3;4-15H,1-3H3;1-12H;1-13H/q7*+1
InChIKeyIBNSSMBFRSMBBD-UHFFFAOYSA-N
XLogP42.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002444.22
LogP ≤ 542.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium with MolForge

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Related Compounds

[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[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-[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
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964928
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964932
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21965085
(4-Octoxyphenyl)-diphenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 22728563
[4-[(2-Methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 23133162
(4-Butoxyphenyl)-diphenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 23133216
4-Vinyloxyethoxyphenyldi(4-t-butylphenyl)sulfonium 2-trifluoromethylbenzenesulfonate
CID 87572956
[Bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]-lambda4-sulfanyl] 2-(trifluoromethyl)benzenesulfonate
CID 87572957
(4-Tert-butylphenyl)-bis[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]sulfanium
CID 88553199

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The IUPAC name of bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (CID 158650902) is bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.CC(C)c1cc(C(C)C)c([S+](c2ccccc2)c2ccccc2)c(C(C)C)c1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1cccc(C)c1[S+](c1ccccc1)c1c(C)cccc1C.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.OC(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The InChIKey is IBNSSMBFRSMBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33S.C22H17F6O2S.C22H22FOS.C22H23S.C21H21S.C18H12F3S.C18H13F2S/c1-19(2)22-17-25(20(3)4)27(26(18-22)21(5)6)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24;23-21(24,25)20(29,22(26,27)28)15-30-16-11-13-19(14-12-16)31(17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-22(2,3)24-21-15-14-19(16-20(21)23)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18;1-16-10-8-11-17(2)21(16)23(20-14-6-5-7-15-20)22-18(3)12-9-13-19(22)4;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h7-21H,1-6H3;1-14,29H,15H2;4-16H,1-3H3;5-15H,1-4H3;4-15H,1-3H3;1-12H;1-13H/q7*+1.
What are the key properties of bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 2444.22 g/mol, XLogP of 42.25, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl)-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;diphenyl-[2,4,6-tri(propan-2-yl)phenyl]sulfanium;[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 158650902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).