bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

C116H97F9O3S6+6 — CID 158568214

IUPACbis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OS.C21H21O2S.C19H14F3S.C18H12F3S.C18H13F2S.C18H14FS/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22-16-17-23-18-12-14-21(15-13-18)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h4-17H,2-3,18H2,1H3;2-15H,16-17H2,1H3;1-14H;1-12H;1-13H;1-14H/q6*+1
InChIKeyHRTCIGUWLFRYNN-UHFFFAOYSA-N
MW1902.43 g/mol
LogP31.75
Rot. Bonds26

About bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 158568214) has the molecular formula C116H97F9O3S6+6 and a molecular weight of 1902.43 g/mol. Its IUPAC name is bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
PubChem CID158568214
Molecular FormulaC116H97F9O3S6+6
Molecular Weight1902.43 g/mol
Exact Mass1900.56
IUPAC Namebis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OS.C21H21O2S.C19H14F3S.C18H12F3S.C18H13F2S.C18H14FS/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22-16-17-23-18-12-14-21(15-13-18)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h4-17H,2-3,18H2,1H3;2-15H,16-17H2,1H3;1-14H;1-12H;1-13H;1-14H/q6*+1
InChIKeyHRTCIGUWLFRYNN-UHFFFAOYSA-N
XLogP31.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001902.43
LogP ≤ 531.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-4-[[4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylphenoxy]methyl]benzene
CID 6481347
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-methoxyphenyl)sulfane
CID 162623307
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)-3-[3-[4-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]sulfanylphenoxy]phenyl]sulfanylbenzene
CID 19733999
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[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(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
[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(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21965037
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21965085

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The IUPAC name of 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) is bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The InChIKey is HRTCIGUWLFRYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23OS.C21H21O2S.C19H14F3S.C18H12F3S.C18H13F2S.C18H14FS/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22-16-17-23-18-12-14-21(15-13-18)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h4-17H,2-3,18H2,1H3;2-15H,16-17H2,1H3;1-14H;1-12H;1-13H;1-14H/q6*+1.
What are the key properties of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 1902.43 g/mol, XLogP of 31.75, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 158568214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).