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

C120H106F6O4S6+6 — CID 159765860

IUPACbis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([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.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C23H23OS.C22H23OS.C21H21O2S.C18H12F3S.C18H13F2S.C18H14FS/c1-3-11-21(12-4-1)25(22-13-5-2-6-14-22)23-17-15-20(16-18-23)24-19-9-7-8-10-19;1-2-3-18-23-19-14-16-22(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;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/h1-6,11-19H,7-10H2;4-17H,2-3,18H2,1H3;2-15H,16-17H2,1H3;1-12H;1-13H;1-14H/q6*+1
InChIKeyNFMJDQMEZXSQSJ-UHFFFAOYSA-N
MW1918.55 g/mol
LogP32.05
Rot. Bonds28

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

bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 159765860) has the molecular formula C120H106F6O4S6+6 and a molecular weight of 1918.55 g/mol. Its IUPAC name is bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
PubChem CID159765860
Molecular FormulaC120H106F6O4S6+6
Molecular Weight1918.55 g/mol
Exact Mass1916.63
IUPAC Namebis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([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.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C23H23OS.C22H23OS.C21H21O2S.C18H12F3S.C18H13F2S.C18H14FS/c1-3-11-21(12-4-1)25(22-13-5-2-6-14-22)23-17-15-20(16-18-23)24-19-9-7-8-10-19;1-2-3-18-23-19-14-16-22(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;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/h1-6,11-19H,7-10H2;4-17H,2-3,18H2,1H3;2-15H,16-17H2,1H3;1-12H;1-13H;1-14H/q6*+1
InChIKeyNFMJDQMEZXSQSJ-UHFFFAOYSA-N
XLogP32.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.55
LogP ≤ 532.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium with MolForge

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Related Compounds

bis(4-octadecoxyphenyl)-phenylsulfanium hexafluorophosphate
CID 22342239
diphenyl-(4-undecoxyphenyl)sulfanium acetate
CID 162330387
2-[4-bis(4-butoxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclopentyloxyphenyl)-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-pentoxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonio]phenoxy]propane-1-sulfonate
CID 157196720
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 159162690
diphenyl-(4-undecoxyphenyl)sulfanium;2,2,2-trifluoroacetate
CID 172843882
1-fluoro-4-[3-(2-pentylcyclohexyl)propoxy]benzene
CID 56982189
hydrogen carbonate;tris(4-hexoxyphenyl)sulfanium
CID 161198618
1-fluoro-4-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]benzene
CID 57204959
(4-dodecoxyphenyl)-(4-isocyanophenyl)-phenylsulfanium
CID 58332389
bis(4-hydroxyphenyl)-phenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium
CID 158702887
bis(4-octadecoxyphenyl)-phenylsulfanium;trifluoromethanesulfonate
CID 22342206
4-(4-propoxyphenoxy)azepane
CID 63904480

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (CID 159765860) is bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(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;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([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.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCC3)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The InChIKey is NFMJDQMEZXSQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23OS.C22H23OS.C21H21O2S.C18H12F3S.C18H13F2S.C18H14FS/c1-3-11-21(12-4-1)25(22-13-5-2-6-14-22)23-17-15-20(16-18-23)24-19-9-7-8-10-19;1-2-3-18-23-19-14-16-22(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;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/h1-6,11-19H,7-10H2;4-17H,2-3,18H2,1H3;2-15H,16-17H2,1H3;1-12H;1-13H;1-14H/q6*+1.
What are the key properties of bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 1918.55 g/mol, XLogP of 32.05, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 159765860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).