diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium

C176H139F16O8S9+9 — CID 165103941

About diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium

diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (PubChem CID 165103941) has the molecular formula C176H139F16O8S9+9 and a molecular weight of 2974.61 g/mol. Its IUPAC name is diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

Molecular Properties

• Compound Name: diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• PubChem CID: 165103941
• Molecular Formula: C176H139F16O8S9+9
• Molecular Weight: 2974.61 g/mol
• Exact Mass: 2971.77
• IUPAC Name: diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC1(Oc2cc([S+](c3ccccc3)c3ccccc3)ccc2F)CCCC1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F
• InChI: InChI=1S/C24H24FOS.C22H23OS.C19H12F3O2S.C19H12F3OS.C19H14F3OS.C19H14F3S.2C18H13FOS.C18H12FS/c1-24(16-8-9-17-24)26-23-18-21(14-15-22(23)25)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-19(21,22)24-13-9-11-14(12-10-13)25-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)25;20-19(21,22)13-9-11-14(12-10-13)24-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)24;20-19(21,22)23-15-11-13-18(14-12-15)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-17-13-16(11-12-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,1-3H3;1-12H;1-12H;1-14H;1-14H;2*1-13H;1-12H/q6*+1;;;+1/p+2
• InChIKey: YUXXYJSAUIKFLO-UHFFFAOYSA-P
• XLogP: 50.89
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2974.61
LogP ≤ 5	50.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The IUPAC name of diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (CID 165103941) is diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

What is the SMILES notation for diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The canonical SMILES for diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC1(Oc2cc([S+](c3ccccc3)c3ccccc3)ccc2F)CCCC1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.

What is the InChIKey of diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The InChIKey is YUXXYJSAUIKFLO-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H24FOS.C22H23OS.C19H12F3O2S.C19H12F3OS.C19H14F3OS.C19H14F3S.2C18H13FOS.C18H12FS/c1-24(16-8-9-17-24)26-23-18-21(14-15-22(23)25)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-19(21,22)24-13-9-11-14(12-10-13)25-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)25;20-19(21,22)13-9-11-14(12-10-13)24-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)24;20-19(21,22)23-15-11-13-18(14-12-15)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;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;19-17-13-16(11-12-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,1-3H3;1-12H;1-12H;1-14H;1-14H;2*1-13H;1-12H/q6*+1;;;+1/p+2.

What are the key properties of diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium has a molecular weight of 2974.61 g/mol, XLogP of 50.89, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is sourced from PubChem (CID 165103941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).