2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium

C136H96F15O10S9+7 — CID 167666626

About 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium

2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium (PubChem CID 167666626) has the molecular formula C136H96F15O10S9+7 and a molecular weight of 2463.83 g/mol. Its IUPAC name is 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

• Compound Name: 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium
• PubChem CID: 167666626
• Molecular Formula: C136H96F15O10S9+7
• Molecular Weight: 2463.83 g/mol
• Exact Mass: 2461.42
• IUPAC Name: 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium
• SMILES: Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccccc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(C(F)(F)F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCCC(F)(F)F.O=S1(=O)c2ccccc2[S+](c2ccc(F)cc2)c2ccccc21.O=S1c2ccccc2[S+](c2ccc(F)cc2)c2ccccc21
• InChI: InChI=1S/C23H17F6O3S.C23H20F3O3S.C18H11F2S.C18H12FO2S2.C18H12FOS2.C18H12FOS.C18H12FS/c24-22(25,26)21(23(27,28)29)32-20(30)15-31-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-23(25,26)15-16-28-22(27)17-29-18-11-13-21(14-12-18)30(19-7-3-1-4-8-19)20-9-5-2-6-10-20;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;19-13-9-11-14(12-10-13)22-15-5-1-3-7-17(15)23(20,21)18-8-4-2-6-16(18)22;19-13-9-11-14(12-10-13)21-15-5-1-3-7-17(15)22(20)18-8-4-2-6-16(18)21;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-14,21H,15H2;1-14H,15-17H2;1-11H;1-12H;1-12H;1-12H;1-12H/q7*+1
• InChIKey: SSUNPRYNLORFQU-UHFFFAOYSA-N
• XLogP: 37.23
• TPSA: 131.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2463.83
LogP ≤ 5	37.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium?

The IUPAC name of 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium (CID 167666626) is 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium.

What is the SMILES notation for 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium?

The canonical SMILES for 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium is Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccccc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(C(F)(F)F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCCC(F)(F)F.O=S1(=O)c2ccccc2[S+](c2ccc(F)cc2)c2ccccc21.O=S1c2ccccc2[S+](c2ccc(F)cc2)c2ccccc21.

What is the InChIKey of 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium?

The InChIKey is SSUNPRYNLORFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6O3S.C23H20F3O3S.C18H11F2S.C18H12FO2S2.C18H12FOS2.C18H12FOS.C18H12FS/c24-22(25,26)21(23(27,28)29)32-20(30)15-31-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-23(25,26)15-16-28-22(27)17-29-18-11-13-21(14-12-18)30(19-7-3-1-4-8-19)20-9-5-2-6-10-20;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;19-13-9-11-14(12-10-13)22-15-5-1-3-7-17(15)23(20,21)18-8-4-2-6-16(18)22;19-13-9-11-14(12-10-13)21-15-5-1-3-7-17(15)22(20)18-8-4-2-6-16(18)21;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-14,21H,15H2;1-14H,15-17H2;1-11H;1-12H;1-12H;1-12H;1-12H/q7*+1.

What are the key properties of 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium?

2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium has a molecular weight of 2463.83 g/mol, XLogP of 37.23, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-difluoro-5-phenyldibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 167666626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).