3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide

C108H60F18O7S10+6 — CID 165004088

About 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide

3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide (PubChem CID 165004088) has the molecular formula C108H60F18O7S10+6 and a molecular weight of 2132.29 g/mol. Its IUPAC name is 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide.

Molecular Properties

• Compound Name: 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide
• PubChem CID: 165004088
• Molecular Formula: C108H60F18O7S10+6
• Molecular Weight: 2132.29 g/mol
• Exact Mass: 2130.12
• IUPAC Name: 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide
• SMILES: Fc1ccc(-[s+]2c3cc(F)ccc3c3ccc(F)cc32)cc1.Fc1ccc([S+]2c3cc(F)ccc3Oc3ccc(F)cc32)cc1.O=S1(=O)c2cc(F)ccc2[S+](c2ccc(F)cc2)c2ccc(F)cc21.O=S1(=O)c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.O=S1c2cc(F)ccc2[S+](c2ccc(F)cc2)c2ccc(F)cc21.O=S1c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21
• InChI: InChI=1S/2C18H10F3O2S2.2C18H10F3OS2.C18H10F3OS.C18H10F3S/c19-11-1-5-14(6-2-11)24-15-9-12(20)3-7-17(15)25(22,23)18-8-4-13(21)10-16(18)24;19-11-1-5-14(6-2-11)24-15-7-3-12(20)9-17(15)25(22,23)18-10-13(21)4-8-16(18)24;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)24(22)16-8-4-13(21)10-18(16)23;19-11-1-5-14(6-2-11)23-15-7-3-12(20)9-17(15)24(22)18-10-13(21)4-8-16(18)23;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)22-16-8-4-13(21)10-18(16)23;19-11-1-5-14(6-2-11)22-17-9-12(20)3-7-15(17)16-8-4-13(21)10-18(16)22/h2*1-10H;2*1-10H;1-10H;1-10H/q6*+1
• InChIKey: IRTTVLIHBWJCFK-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 111.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2132.29
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide?

The IUPAC name of 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide (CID 165004088) is 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide.

What is the SMILES notation for 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide?

The canonical SMILES for 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide is Fc1ccc(-[s+]2c3cc(F)ccc3c3ccc(F)cc32)cc1.Fc1ccc([S+]2c3cc(F)ccc3Oc3ccc(F)cc32)cc1.O=S1(=O)c2cc(F)ccc2[S+](c2ccc(F)cc2)c2ccc(F)cc21.O=S1(=O)c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.O=S1c2cc(F)ccc2[S+](c2ccc(F)cc2)c2ccc(F)cc21.O=S1c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.

What is the InChIKey of 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide?

The InChIKey is IRTTVLIHBWJCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H10F3O2S2.2C18H10F3OS2.C18H10F3OS.C18H10F3S/c19-11-1-5-14(6-2-11)24-15-9-12(20)3-7-17(15)25(22,23)18-8-4-13(21)10-16(18)24;19-11-1-5-14(6-2-11)24-15-7-3-12(20)9-17(15)25(22,23)18-10-13(21)4-8-16(18)24;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)24(22)16-8-4-13(21)10-18(16)23;19-11-1-5-14(6-2-11)23-15-7-3-12(20)9-17(15)24(22)18-10-13(21)4-8-16(18)23;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)22-16-8-4-13(21)10-18(16)23;19-11-1-5-14(6-2-11)22-17-9-12(20)3-7-15(17)16-8-4-13(21)10-18(16)22/h2*1-10H;2*1-10H;1-10H;1-10H/q6*+1.

What are the key properties of 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide?

3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide has a molecular weight of 2132.29 g/mol, XLogP of 29.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-difluoro-5-(4-fluorophenyl)dibenzothiophen-5-ium;2,8-difluoro-10-(4-fluorophenyl)phenoxathiin-10-ium;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;3,7-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide is sourced from PubChem (CID 165004088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).