diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium

C129H129F24O18S5+5 — CID 158389400

IUPACdiphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium
SMILESCC(O)(COc1cccc([S+](c2ccccc2)c2ccccc2)c1)C(F)(F)F.CC(O)(COc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.COCOC(C)(CCc1ccc([S+](c2ccc(OCC(C)(OCOC)C(F)(F)F)cc2)c2ccc(OCC(OCOC)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.COCOC(C)(COc1cccc([S+](c2ccccc2)c2ccccc2)c1)C(F)(F)F.COCOC(C)(COc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C37H41F12O8S.2C24H24F3O3S.2C22H20F3O2S/c1-31(34(38,39)40,55-22-50-3)19-18-25-6-12-28(13-7-25)58(29-14-8-26(9-15-29)53-20-32(2,35(41,42)43)56-23-51-4)30-16-10-27(11-17-30)54-21-33(36(44,45)46,37(47,48)49)57-24-52-5;1-23(24(25,26)27,30-18-28-2)17-29-19-10-9-15-22(16-19)31(20-11-5-3-6-12-20)21-13-7-4-8-14-21;1-23(24(25,26)27,30-18-28-2)17-29-21-15-9-10-16-22(21)31(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-21(26,22(23,24)25)16-27-17-9-8-14-20(15-17)28(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-21(26,22(23,24)25)16-27-19-14-8-9-15-20(19)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h6-17H,18-24H2,1-5H3;2*3-16H,17-18H2,1-2H3;2*2-15,26H,16H2,1H3/q5*+1
InChIKeyGWTNIQBMRWJSIB-UHFFFAOYSA-N
MW2583.72 g/mol
LogP32.99
Rot. Bonds51

About diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium

diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium (PubChem CID 158389400) has the molecular formula C129H129F24O18S5+5 and a molecular weight of 2583.72 g/mol. Its IUPAC name is diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium
PubChem CID158389400
Molecular FormulaC129H129F24O18S5+5
Molecular Weight2583.72 g/mol
Exact Mass2581.74
IUPAC Namediphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium
SMILESCC(O)(COc1cccc([S+](c2ccccc2)c2ccccc2)c1)C(F)(F)F.CC(O)(COc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.COCOC(C)(CCc1ccc([S+](c2ccc(OCC(C)(OCOC)C(F)(F)F)cc2)c2ccc(OCC(OCOC)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.COCOC(C)(COc1cccc([S+](c2ccccc2)c2ccccc2)c1)C(F)(F)F.COCOC(C)(COc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C37H41F12O8S.2C24H24F3O3S.2C22H20F3O2S/c1-31(34(38,39)40,55-22-50-3)19-18-25-6-12-28(13-7-25)58(29-14-8-26(9-15-29)53-20-32(2,35(41,42)43)56-23-51-4)30-16-10-27(11-17-30)54-21-33(36(44,45)46,37(47,48)49)57-24-52-5;1-23(24(25,26)27,30-18-28-2)17-29-19-10-9-15-22(16-19)31(20-11-5-3-6-12-20)21-13-7-4-8-14-21;1-23(24(25,26)27,30-18-28-2)17-29-21-15-9-10-16-22(21)31(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-21(26,22(23,24)25)16-27-17-9-8-14-20(15-17)28(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-21(26,22(23,24)25)16-27-19-14-8-9-15-20(19)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h6-17H,18-24H2,1-5H3;2*3-16H,17-18H2,1-2H3;2*2-15,26H,16H2,1H3/q5*+1
InChIKeyGWTNIQBMRWJSIB-UHFFFAOYSA-N
XLogP32.99
TPSA188.14 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds51
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002583.72
LogP ≤ 532.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium with MolForge

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Related Compounds

[4-(2,2-Difluoro-2-sulfoethoxy)phenyl]-[4-[[1,1,1,3,3,3-hexafluoro-2-[[4-[[4-(1,1,1,3,3-pentafluoro-3-sulfopropan-2-yl)oxyphenyl]-phenylsulfonio]phenoxy]methyl]propan-2-yl]oxymethoxymethyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium
CID 134300077
Bis(4-tert-butylphenyl)-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium
CID 140915993
Phenyl-[4-[4,4,4-trifluoro-3-(methoxymethoxy)-2-methyl-1-[3-[phenyl-[4-[4,4,4-trifluoro-3-(methoxymethoxy)-2-methyl-3-(trifluoromethyl)butan-2-yl]oxyphenyl]sulfonio]phenyl]-3-(trifluoromethyl)butan-2-yl]oxyphenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium
CID 146946998
[4-[1-(2-Cyclohexylethoxy)-1-[2-[3-[2,2-dibutoxy-2-[4-[[4-(2,2-difluoro-1-hydroxy-2-sulfoethoxy)phenyl]-phenylsulfonio]phenyl]ethyl]cyclohexyl]ethoxy]ethyl]phenyl]-[4-(2,2-difluoro-1-hydroxy-2-sulfoethoxy)phenyl]-phenylsulfanium
CID 155174066
2-[4-[[4-[1-(1-Adamantyl)-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]-phenylsulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-[[4-(2-hydroxypropan-2-yl)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-[phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-[phenyl-[4-[1,1,1-trifluoro-2-hydroxy-4-methyl-2-(trifluoromethyl)pentan-3-yl]oxyphenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-[phenyl-[4-[4,4,4-trifluoro-2-methyl-3,3-bis(trifluoromethyl)butan-2-yl]oxyphenyl]sulfonio]phenoxy]propane-1-sulfonate
CID 157831763
2-[3-[(4-Tert-butylphenyl)-[4-[2,4-dimethyl-4-(trifluoromethyl)-1,3-dioxolan-2-yl]phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[3-[(4-tert-butylphenyl)-[4-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[3-[(4-tert-butylphenyl)-[4-(2,4,4-trimethyl-1,3-dioxolan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate
CID 157944479
Diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]sulfanylphenyl]sulfanium;[4-[3,3,4,4,5,5,5-heptafluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(methoxymethoxy)pentoxy]phenyl]-diphenylsulfanium;naphthalen-2-yl-phenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
CID 158011277
1-Butoxy-4-ethylbenzene;1-butoxy-2-methylsulfanylbenzene;1-butoxy-3-methylsulfanylbenzene;bis(1-ethoxy-2-methylsulfanylbenzene);bis(1-ethoxy-3-methylsulfanylbenzene);bis(1-ethoxy-4-methylsulfanylbenzene);bis(1-ethoxy-4-(trifluoromethylsulfanyl)benzene);bis(1-ethylsulfanyl-2-methoxybenzene);bis(1-ethylsulfanyl-3-methoxybenzene);bis(1-ethylsulfanyl-4-methoxybenzene);bis(1-ethylsulfanyl-4-(trifluoromethoxy)benzene)
CID 158161127
Diphenyl-[4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl]oxyphenyl]sulfanium;diphenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;phenyl-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)phenyl]-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium
CID 158210821
Bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
CID 158568214
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
Bis(4-hydroxy-3,5-dimethylphenyl)-phenylsulfanium;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-phenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;[4-fluoro-3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium;[3-methyl-5-(trifluoromethyl)phenyl]-diphenylsulfanium
CID 158849909

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The IUPAC name of diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium (CID 158389400) is diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium.
What is the SMILES notation for diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The canonical SMILES for diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium is CC(O)(COc1cccc([S+](c2ccccc2)c2ccccc2)c1)C(F)(F)F.CC(O)(COc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.COCOC(C)(CCc1ccc([S+](c2ccc(OCC(C)(OCOC)C(F)(F)F)cc2)c2ccc(OCC(OCOC)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.COCOC(C)(COc1cccc([S+](c2ccccc2)c2ccccc2)c1)C(F)(F)F.COCOC(C)(COc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
The InChIKey is GWTNIQBMRWJSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41F12O8S.2C24H24F3O3S.2C22H20F3O2S/c1-31(34(38,39)40,55-22-50-3)19-18-25-6-12-28(13-7-25)58(29-14-8-26(9-15-29)53-20-32(2,35(41,42)43)56-23-51-4)30-16-10-27(11-17-30)54-21-33(36(44,45)46,37(47,48)49)57-24-52-5;1-23(24(25,26)27,30-18-28-2)17-29-19-10-9-15-22(16-19)31(20-11-5-3-6-12-20)21-13-7-4-8-14-21;1-23(24(25,26)27,30-18-28-2)17-29-21-15-9-10-16-22(21)31(19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-21(26,22(23,24)25)16-27-17-9-8-14-20(15-17)28(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-21(26,22(23,24)25)16-27-19-14-8-9-15-20(19)28(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h6-17H,18-24H2,1-5H3;2*3-16H,17-18H2,1-2H3;2*2-15,26H,16H2,1H3/q5*+1.
What are the key properties of diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium?
diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium has a molecular weight of 2583.72 g/mol, XLogP of 32.99, 51 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[3-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium;diphenyl-[2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;diphenyl-[3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]sulfanium;[4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-methylbutyl]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-methylpropoxy]phenyl]-[4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]phenyl]sulfanium is sourced from PubChem (CID 158389400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).