2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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

C154H107F17O11S10+8 — CID 167545028

IUPAC2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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
SMILESFc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2c1ccccc1.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
InChIInChI=1S/C23H17F6O3S.C23H20F3O3S.C18H11F2OS.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)21-16-11-13(20)7-9-18(16)22(17)14-4-2-1-3-5-14;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;1-11H;1-12H;1-12H;1-12H;1-12H/q8*+1
InChIKeyBRHRWUISYUUEFQ-UHFFFAOYSA-N
MW2777.17 g/mol
LogP42.39
Rot. Bonds21

About 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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;3,7-difluoro-10-phenylphenoxathiin-10-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 167545028) has the molecular formula C154H107F17O11S10+8 and a molecular weight of 2777.17 g/mol. Its IUPAC name is 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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 Name2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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 CID167545028
Molecular FormulaC154H107F17O11S10+8
Molecular Weight2777.17 g/mol
Exact Mass2774.47
IUPAC Name2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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
SMILESFc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2c1ccccc1.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
InChIInChI=1S/C23H17F6O3S.C23H20F3O3S.C18H11F2OS.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)21-16-11-13(20)7-9-18(16)22(17)14-4-2-1-3-5-14;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;1-11H;1-12H;1-12H;1-12H;1-12H/q8*+1
InChIKeyBRHRWUISYUUEFQ-UHFFFAOYSA-N
XLogP42.39
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.17
LogP ≤ 542.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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;3,7-difluoro-10-phenylphenoxathiin-10-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 167545028) is 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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;3,7-difluoro-10-phenylphenoxathiin-10-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;3,7-difluoro-10-phenylphenoxathiin-10-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)Oc1cc(F)ccc1[S+]2c1ccccc1.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;3,7-difluoro-10-phenylphenoxathiin-10-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 BRHRWUISYUUEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6O3S.C23H20F3O3S.C18H11F2OS.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)21-16-11-13(20)7-9-18(16)22(17)14-4-2-1-3-5-14;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;1-11H;1-12H;1-12H;1-12H;1-12H/q8*+1.
What are the key properties of 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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;3,7-difluoro-10-phenylphenoxathiin-10-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 2777.17 g/mol, XLogP of 42.39, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-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 167545028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).