bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)

C160H161F18NO26S13 — CID 159131385

About bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)

bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium) (PubChem CID 159131385) has the molecular formula C160H161F18NO26S13 and a molecular weight of 3272.86 g/mol. Its IUPAC name is bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)
• PubChem CID: 159131385
• Molecular Formula: C160H161F18NO26S13
• Molecular Weight: 3272.86 g/mol
• Exact Mass: 3269.74
• IUPAC Name: bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)
• SMILES: CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].O=C([O-])C(F)(F)C(F)(F)S(=O)(=O)[O-].O=C([O-])C(F)(F)S(=O)(=O)[O-].O=C([O-])C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCOCC3)ccc(OCC3CCCCC3)c2c1.c1ccc2c([S+]3CCOCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/2C21H27O2S.2C18H13S.2C18H15S.2C14H21S.C9H11F6NO7S2.C4H2F6O5S.C3H2F4O5S.C2H2F2O5S/c2*1-2-6-17(7-3-1)16-23-20-10-11-21(24-14-12-22-13-15-24)19-9-5-4-8-18(19)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;10-7(11,9(14,15)25(21,22)23)8(12,13)24(19,20)16-3-1-5(2-4-16)6(17)18;5-2(6,1(11)12)3(7,8)4(9,10)16(13,14)15;4-2(5,1(8)9)3(6,7)13(10,11)12;3-2(4,1(5)6)10(7,8)9/h2*4-5,8-11,17H,1-3,6-7,12-16H2;2*1-13H;2*1-15H;2*6-9H,4-5,10-11H2,1-3H3;5H,1-4H2,(H,17,18)(H,21,22,23);(H,11,12)(H,13,14,15);(H,8,9)(H,10,11,12);(H,5,6)(H,7,8,9)/q8*+1;;;;/p-8
• InChIKey: KGYAKBHGPWFRLU-UHFFFAOYSA-F
• XLogP: 32.82
• TPSA: 463.62 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3272.86
LogP ≤ 5	32.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)?

The IUPAC name of bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium) (CID 159131385) is bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium).

What is the SMILES notation for bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)?

The canonical SMILES for bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium) is CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].O=C([O-])C(F)(F)C(F)(F)S(=O)(=O)[O-].O=C([O-])C(F)(F)S(=O)(=O)[O-].O=C([O-])C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCOCC3)ccc(OCC3CCCCC3)c2c1.c1ccc2c([S+]3CCOCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)?

The InChIKey is KGYAKBHGPWFRLU-UHFFFAOYSA-F. The full InChI is InChI=1S/2C21H27O2S.2C18H13S.2C18H15S.2C14H21S.C9H11F6NO7S2.C4H2F6O5S.C3H2F4O5S.C2H2F2O5S/c2*1-2-6-17(7-3-1)16-23-20-10-11-21(24-14-12-22-13-15-24)19-9-5-4-8-18(19)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;10-7(11,9(14,15)25(21,22)23)8(12,13)24(19,20)16-3-1-5(2-4-16)6(17)18;5-2(6,1(11)12)3(7,8)4(9,10)16(13,14)15;4-2(5,1(8)9)3(6,7)13(10,11)12;3-2(4,1(5)6)10(7,8)9/h2*4-5,8-11,17H,1-3,6-7,12-16H2;2*1-13H;2*1-15H;2*6-9H,4-5,10-11H2,1-3H3;5H,1-4H2,(H,17,18)(H,21,22,23);(H,11,12)(H,13,14,15);(H,8,9)(H,10,11,12);(H,5,6)(H,7,8,9)/q8*+1;;;;/p-8.

What are the key properties of bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium)?

bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium) has a molecular weight of 3272.86 g/mol, XLogP of 32.82, 33 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);2,2-difluoro-2-sulfonatoacetate;2,2,3,3,4,4-hexafluoro-4-sulfonatobutanoate;1-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonylpiperidine-4-carboxylate;bis(5-phenyldibenzothiophen-5-ium);2,2,3,3-tetrafluoro-3-sulfonatopropanoate;bis(triphenylsulfanium) is sourced from PubChem (CID 159131385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).