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

C166H133F15O11S8+8 — CID 165086189

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

diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (PubChem CID 165086189) has the molecular formula C166H133F15O11S8+8 and a molecular weight of 2845.38 g/mol. Its IUPAC name is diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

Molecular Properties

• Compound Name: diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• PubChem CID: 165086189
• Molecular Formula: C166H133F15O11S8+8
• Molecular Weight: 2845.38 g/mol
• Exact Mass: 2842.73
• IUPAC Name: diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• SMILES: CC1(Oc2cc([S+]3c4ccccc4Oc4ccccc43)ccc2F)CCCC1.CC1(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CC1(Oc2ccc([S+]3c4ccccc4Oc4ccccc43)cc2F)CCCC1.FC(F)(F)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F
• InChI: InChI=1S/2C24H22FO2S.C24H25OS.C19H12F3O2S.2C19H12F3OS.C19H14F3OS.C18H13FOS/c1-24(14-6-7-15-24)27-19-13-12-17(16-18(19)25)28-22-10-4-2-8-20(22)26-21-9-3-5-11-23(21)28;1-24(14-6-7-15-24)27-21-16-17(12-13-18(21)25)28-22-10-4-2-8-19(22)26-20-9-3-5-11-23(20)28;1-24(18-8-9-19-24)25-20-14-16-23(17-15-20)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22;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)23-13-9-11-14(12-10-13)24-17-7-3-1-5-15(17)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;19-17-13-16(11-12-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h2*2-5,8-13,16H,6-7,14-15H2,1H3;2-7,10-17H,8-9,18-19H2,1H3;1-12H;2*1-12H;1-14H;1-13H/q7*+1;/p+1
• InChIKey: VYFDYGHCQBAANI-UHFFFAOYSA-O
• XLogP: 48.60
• TPSA: 112.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2845.38
LogP ≤ 5	48.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The IUPAC name of diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (CID 165086189) is diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;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;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The canonical SMILES for diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is CC1(Oc2cc([S+]3c4ccccc4Oc4ccccc43)ccc2F)CCCC1.CC1(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCC1.CC1(Oc2ccc([S+]3c4ccccc4Oc4ccccc43)cc2F)CCCC1.FC(F)(F)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.

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

The InChIKey is VYFDYGHCQBAANI-UHFFFAOYSA-O. The full InChI is InChI=1S/2C24H22FO2S.C24H25OS.C19H12F3O2S.2C19H12F3OS.C19H14F3OS.C18H13FOS/c1-24(14-6-7-15-24)27-19-13-12-17(16-18(19)25)28-22-10-4-2-8-20(22)26-21-9-3-5-11-23(21)28;1-24(14-6-7-15-24)27-21-16-17(12-13-18(21)25)28-22-10-4-2-8-19(22)26-20-9-3-5-11-23(20)28;1-24(18-8-9-19-24)25-20-14-16-23(17-15-20)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22;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)23-13-9-11-14(12-10-13)24-17-7-3-1-5-15(17)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;19-17-13-16(11-12-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h2*2-5,8-13,16H,6-7,14-15H2,1H3;2-7,10-17H,8-9,18-19H2,1H3;1-12H;2*1-12H;1-14H;1-13H/q7*+1;/p+1.

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

diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium has a molecular weight of 2845.38 g/mol, XLogP of 48.60, 23 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;10-[3-fluoro-4-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;10-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]phenoxathiin-10-ium;[4-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-[4-(trifluoromethoxy)phenyl]dibenzothiophen-5-ium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is sourced from PubChem (CID 165086189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).