4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium

C151H139F11O19S8 — CID 158198528

IUPAC4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium
SMILESCCC(C)c1ccc(COCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc2cc(Oc3c(F)c(F)c(S(=O)(=O)[O-])c(F)c3F)ccc2c1.CCC(C)c1cccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c1.Cc1ccccc1[S+](c1ccccc1C)c1ccccc1C.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21S.C20H16F4O4S.C20H26O5S.C20H17OS.C18H12F3S.C18H22O5S.C18H15S.C16H14F4O4S/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-3-10(2)11-4-5-13-9-14(7-6-12(13)8-11)28-19-15(21)17(23)20(29(25,26)27)18(24)16(19)22;1-3-16(2)18-7-5-17(6-8-18)15-24-13-4-14-25-19-9-11-20(12-10-19)26(21,22)23;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;1-3-14(2)15-4-6-16(7-5-15)22-12-13-23-17-8-10-18(11-9-17)24(19,20)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-5-4-6-10(7-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18/h4-15H,1-3H3;4-10H,3H2,1-2H3,(H,25,26,27);5-12,16H,3-4,13-15H2,1-2H3,(H,21,22,23);1-12,21H,13-14H2;1-12H;4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);1-15H;4-8H,3H2,1-2H3,(H,21,22,23)/q+1;;;2*+1;;+1;/p-4
InChIKeyGAQHXXRESHAUHL-UHFFFAOYSA-J
MW2723.27 g/mol
LogP38.67
Rot. Bonds40

About 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium

4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium (PubChem CID 158198528) has the molecular formula C151H139F11O19S8 and a molecular weight of 2723.27 g/mol. Its IUPAC name is 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium.

Molecular Properties

Compound Name4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium
PubChem CID158198528
Molecular FormulaC151H139F11O19S8
Molecular Weight2723.27 g/mol
Exact Mass2720.75
IUPAC Name4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium
SMILESCCC(C)c1ccc(COCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc2cc(Oc3c(F)c(F)c(S(=O)(=O)[O-])c(F)c3F)ccc2c1.CCC(C)c1cccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c1.Cc1ccccc1[S+](c1ccccc1C)c1ccccc1C.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21S.C20H16F4O4S.C20H26O5S.C20H17OS.C18H12F3S.C18H22O5S.C18H15S.C16H14F4O4S/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-3-10(2)11-4-5-13-9-14(7-6-12(13)8-11)28-19-15(21)17(23)20(29(25,26)27)18(24)16(19)22;1-3-16(2)18-7-5-17(6-8-18)15-24-13-4-14-25-19-9-11-20(12-10-19)26(21,22)23;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;1-3-14(2)15-4-6-16(7-5-15)22-12-13-23-17-8-10-18(11-9-17)24(19,20)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-5-4-6-10(7-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18/h4-15H,1-3H3;4-10H,3H2,1-2H3,(H,25,26,27);5-12,16H,3-4,13-15H2,1-2H3,(H,21,22,23);1-12,21H,13-14H2;1-12H;4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);1-15H;4-8H,3H2,1-2H3,(H,21,22,23)/q+1;;;2*+1;;+1;/p-4
InChIKeyGAQHXXRESHAUHL-UHFFFAOYSA-J
XLogP38.67
TPSA304.41 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002723.27
LogP ≤ 538.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium?
The IUPAC name of 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium (CID 158198528) is 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium.
What is the SMILES notation for 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium?
The canonical SMILES for 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium is CCC(C)c1ccc(COCCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc2cc(Oc3c(F)c(F)c(S(=O)(=O)[O-])c(F)c3F)ccc2c1.CCC(C)c1cccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c1.Cc1ccccc1[S+](c1ccccc1C)c1ccccc1C.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium?
The InChIKey is GAQHXXRESHAUHL-UHFFFAOYSA-J. The full InChI is InChI=1S/C21H21S.C20H16F4O4S.C20H26O5S.C20H17OS.C18H12F3S.C18H22O5S.C18H15S.C16H14F4O4S/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-3-10(2)11-4-5-13-9-14(7-6-12(13)8-11)28-19-15(21)17(23)20(29(25,26)27)18(24)16(19)22;1-3-16(2)18-7-5-17(6-8-18)15-24-13-4-14-25-19-9-11-20(12-10-19)26(21,22)23;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;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;1-3-14(2)15-4-6-16(7-5-15)22-12-13-23-17-8-10-18(11-9-17)24(19,20)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(2)9-5-4-6-10(7-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18/h4-15H,1-3H3;4-10H,3H2,1-2H3,(H,25,26,27);5-12,16H,3-4,13-15H2,1-2H3,(H,21,22,23);1-12,21H,13-14H2;1-12H;4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);1-15H;4-8H,3H2,1-2H3,(H,21,22,23)/q+1;;;2*+1;;+1;/p-4.
What are the key properties of 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium?
4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium has a molecular weight of 2723.27 g/mol, XLogP of 38.67, 40 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-butan-2-ylnaphthalen-2-yl)oxy-2,3,5,6-tetrafluorobenzenesulfonate;4-[2-(4-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-(3-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-[(4-butan-2-ylphenyl)methoxy]propoxy]benzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium;tris(4-fluorophenyl)sulfanium;tris(2-methylphenyl)sulfanium is sourced from PubChem (CID 158198528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).