[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium

C104H90F26O12S4+4 — CID 159049622

IUPAC[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
SMILESCc1cc(OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F)ccc1[S+](c1ccccc1)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C27H24F7O3S.C26H22F7O3S.C26H24F5O3S.C25H20F7O3S/c1-18-15-22(38(20-9-5-3-6-10-20)21-11-7-4-8-12-21)16-19(2)24(18)37-17-23(35)36-14-13-25(28,29)26(30,31)27(32,33)34;1-18-16-19(36-17-23(34)35-15-14-24(27,28)25(29,30)26(31,32)33)12-13-22(18)37(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-18-15-22(35(20-9-5-3-6-10-20)21-11-7-4-8-12-21)16-19(2)24(18)34-17-23(32)33-14-13-25(27,28)26(29,30)31;26-23(27,24(28,29)25(30,31)32)15-16-34-22(33)17-35-18-11-13-21(14-12-18)36(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h3-12,15-16H,13-14,17H2,1-2H3;2-13,16H,14-15,17H2,1H3;3-12,15-16H,13-14,17H2,1-2H3;1-14H,15-17H2/q4*+1
InChIKeyJXCGLJWKIKPLOP-UHFFFAOYSA-N
MW2154.07 g/mol
LogP28.61
Rot. Bonds39

About [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium

[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium (PubChem CID 159049622) has the molecular formula C104H90F26O12S4+4 and a molecular weight of 2154.07 g/mol. Its IUPAC name is [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
PubChem CID159049622
Molecular FormulaC104H90F26O12S4+4
Molecular Weight2154.07 g/mol
Exact Mass2152.49
IUPAC Name[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
SMILESCc1cc(OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F)ccc1[S+](c1ccccc1)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C27H24F7O3S.C26H22F7O3S.C26H24F5O3S.C25H20F7O3S/c1-18-15-22(38(20-9-5-3-6-10-20)21-11-7-4-8-12-21)16-19(2)24(18)37-17-23(35)36-14-13-25(28,29)26(30,31)27(32,33)34;1-18-16-19(36-17-23(34)35-15-14-24(27,28)25(29,30)26(31,32)33)12-13-22(18)37(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-18-15-22(35(20-9-5-3-6-10-20)21-11-7-4-8-12-21)16-19(2)24(18)34-17-23(32)33-14-13-25(27,28)26(29,30)31;26-23(27,24(28,29)25(30,31)32)15-16-34-22(33)17-35-18-11-13-21(14-12-18)36(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h3-12,15-16H,13-14,17H2,1-2H3;2-13,16H,14-15,17H2,1H3;3-12,15-16H,13-14,17H2,1-2H3;1-14H,15-17H2/q4*+1
InChIKeyJXCGLJWKIKPLOP-UHFFFAOYSA-N
XLogP28.61
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.07
LogP ≤ 528.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[2-methyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 162087696
[3,5-dimethyl-4-[2-[(2-methyl-2-tetracyclo[3.3.1.03,9.07,9]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[2-methyl-4-[2-[(2-methyl-2-tetracyclo[3.3.1.03,9.07,9]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-tetracyclo[3.3.1.03,9.07,9]nonanyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 167616882
[4-[2-(3-ethylpentan-3-yloxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 58481029
bis(4-tert-butylphenyl)-[4-(carboxymethoxy)-3,5-dimethylphenyl]sulfanium
CID 140622341
[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-(trifluoromethylsulfonyloxy)phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium
CID 158926356
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-(4-butan-2-ylphenoxy)acetate;rubidium(1+)
CID 59360564
[4-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 163526354
[4-[2-(2,2-difluoro-2-sulfoethoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 154594595
[4-[2-[2-(2-bromopropanoyloxy)ethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 156684081
[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium
CID 160665868
2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoroethanesulfonate
CID 154594594
[4-[2-[2-(2,3-dihydro-1H-inden-2-yl)propan-2-yloxy]-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 169017261

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium (CID 159049622) is [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium is Cc1cc(OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F)ccc1[S+](c1ccccc1)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCCC(F)(F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
The InChIKey is JXCGLJWKIKPLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F7O3S.C26H22F7O3S.C26H24F5O3S.C25H20F7O3S/c1-18-15-22(38(20-9-5-3-6-10-20)21-11-7-4-8-12-21)16-19(2)24(18)37-17-23(35)36-14-13-25(28,29)26(30,31)27(32,33)34;1-18-16-19(36-17-23(34)35-15-14-24(27,28)25(29,30)26(31,32)33)12-13-22(18)37(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-18-15-22(35(20-9-5-3-6-10-20)21-11-7-4-8-12-21)16-19(2)24(18)34-17-23(32)33-14-13-25(27,28)26(29,30)31;26-23(27,24(28,29)25(30,31)32)15-16-34-22(33)17-35-18-11-13-21(14-12-18)36(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h3-12,15-16H,13-14,17H2,1-2H3;2-13,16H,14-15,17H2,1H3;3-12,15-16H,13-14,17H2,1-2H3;1-14H,15-17H2/q4*+1.
What are the key properties of [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium?
[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium has a molecular weight of 2154.07 g/mol, XLogP of 28.61, 39 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 159049622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).