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

C200H167F17O9S10+10 — CID 164967628

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

benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (PubChem CID 164967628) has the molecular formula C200H167F17O9S10+10 and a molecular weight of 3358.16 g/mol. Its IUPAC name is benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

Molecular Properties

• Compound Name: benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• PubChem CID: 164967628
• Molecular Formula: C200H167F17O9S10+10
• Molecular Weight: 3358.16 g/mol
• Exact Mass: 3354.95
• IUPAC Name: benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC1(Oc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2F)CCCC1.CC1(Oc2cc([S+](c3ccccc3)c3ccccc3)ccc2F)CCCC1.FC(F)(F)Oc1ccc([SH+]c2ccccc2)cc1.FC(F)(F)Oc1ccc([SH+]c2ccccc2Oc2ccccc2)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.FC(F)(F)c1ccc([SH+]c2ccccc2)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C24H22FOS.C24H24FOS.C22H23OS.C19H13F3O2S.C19H12F3OS.2C18H13FOS.C18H12FS.C13H9F3OS.C13H9F3S.2C6H6/c1-24(14-6-7-15-24)26-21-16-17(12-13-20(21)25)27-22-10-4-2-8-18(22)19-9-3-5-11-23(19)27;1-24(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)24-15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)23-14-6-2-1-3-7-14;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;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;14-13(15,16)17-10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11;2*1-2-4-6-5-3-1/h2-5,8-13,16H,6-7,14-15H2,1H3;2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,1-3H3;1-13H;1-12H;2*1-13H;1-12H;1-9H;1-9H;2*1-6H/q3*+1;;+1;;;+1;;;;/p+5
• InChIKey: CRNZOKAWKBTBJM-UHFFFAOYSA-S
• XLogP: 57.94
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3358.16
LogP ≤ 5	57.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (CID 164967628) is benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

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

The canonical SMILES for benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC1(Oc2cc(-[s+]3c4ccccc4c4ccccc43)ccc2F)CCCC1.CC1(Oc2cc([S+](c3ccccc3)c3ccccc3)ccc2F)CCCC1.FC(F)(F)Oc1ccc([SH+]c2ccccc2)cc1.FC(F)(F)Oc1ccc([SH+]c2ccccc2Oc2ccccc2)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.FC(F)(F)c1ccc([SH+]c2ccccc2)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.c1ccccc1.c1ccccc1.

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

The InChIKey is CRNZOKAWKBTBJM-UHFFFAOYSA-S. The full InChI is InChI=1S/C24H22FOS.C24H24FOS.C22H23OS.C19H13F3O2S.C19H12F3OS.2C18H13FOS.C18H12FS.C13H9F3OS.C13H9F3S.2C6H6/c1-24(14-6-7-15-24)26-21-16-17(12-13-20(21)25)27-22-10-4-2-8-18(22)19-9-3-5-11-23(19)27;1-24(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)24-15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)23-14-6-2-1-3-7-14;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;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;14-13(15,16)17-10-6-8-12(9-7-10)18-11-4-2-1-3-5-11;14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11;2*1-2-4-6-5-3-1/h2-5,8-13,16H,6-7,14-15H2,1H3;2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,1-3H3;1-13H;1-12H;2*1-13H;1-12H;1-9H;1-9H;2*1-6H/q3*+1;;+1;;;+1;;;;/p+5.

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

benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium has a molecular weight of 3358.16 g/mol, XLogP of 57.94, 30 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]dibenzothiophen-5-ium;[4-fluoro-3-(1-methylcyclopentyl)oxyphenyl]-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;(2-phenoxyphenyl)-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethoxy)phenyl]sulfanium;phenyl-[4-(trifluoromethyl)phenyl]sulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is sourced from PubChem (CID 164967628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).