bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium

C132H94F19OS7+7 — CID 159561611

About bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium

bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 159561611) has the molecular formula C132H94F19OS7+7 and a molecular weight of 2281.63 g/mol. Its IUPAC name is bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

• Compound Name: bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium
• PubChem CID: 159561611
• Molecular Formula: C132H94F19OS7+7
• Molecular Weight: 2281.63 g/mol
• Exact Mass: 2279.50
• IUPAC Name: bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium
• SMILES: Cc1ccc([S+](c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C21H15F6S.C20H16F3S.C19H14F3S.C18H12F3S.C18H13F2S.C18H12FOS.C18H12FS/c1-14-2-8-17(9-3-14)28(18-10-4-15(5-11-18)20(22,23)24)19-12-6-16(7-13-19)21(25,26)27;1-15-7-11-18(12-8-15)24(17-5-3-2-4-6-17)19-13-9-16(10-14-19)20(21,22)23;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;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/h2-13H,1H3;2-14H,1H3;1-14H;1-12H;1-13H;1-12H;1-12H/q7*+1
• InChIKey: MGRPBYBQDAVYTM-UHFFFAOYSA-N
• XLogP: 40.19
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2281.63
LogP ≤ 5	40.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium?

The IUPAC name of bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium (CID 159561611) is bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium.

What is the SMILES notation for bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium?

The canonical SMILES for bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium is Cc1ccc([S+](c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium?

The InChIKey is MGRPBYBQDAVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6S.C20H16F3S.C19H14F3S.C18H12F3S.C18H13F2S.C18H12FOS.C18H12FS/c1-14-2-8-17(9-3-14)28(18-10-4-15(5-11-18)20(22,23)24)19-12-6-16(7-13-19)21(25,26)27;1-15-7-11-18(12-8-15)24(17-5-3-2-4-6-17)19-13-9-16(10-14-19)20(21,22)23;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;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/h2-13H,1H3;2-14H,1H3;1-14H;1-12H;1-13H;1-12H;1-12H/q7*+1.

What are the key properties of bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium?

bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 2281.63 g/mol, XLogP of 40.19, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-fluorophenyl)-phenylsulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;(4-methylphenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-phenyl-[4-(trifluoromethyl)phenyl]sulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 159561611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).