bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

C128H124F8O6S6+6 — CID 158362475

About bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium (PubChem CID 158362475) has the molecular formula C128H124F8O6S6+6 and a molecular weight of 2102.78 g/mol. Its IUPAC name is bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium.

Molecular Properties

• Compound Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium
• PubChem CID: 158362475
• Molecular Formula: C128H124F8O6S6+6
• Molecular Weight: 2102.78 g/mol
• Exact Mass: 2100.76
• IUPAC Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)(C)C)cc2)cc1.CCC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccccc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F
• InChI: InChI=1S/C30H39O3S.C26H31O2S.C23H25OS.C18H11F2S.C18H12FS.C13H6F5S/c1-28(2,3)31-22-10-16-25(17-11-22)34(26-18-12-23(13-19-26)32-29(4,5)6)27-20-14-24(15-21-27)33-30(7,8)9;1-25(2,3)27-20-12-16-23(17-13-20)29(22-10-8-7-9-11-22)24-18-14-21(15-19-24)28-26(4,5)6;1-4-23(2,3)24-19-15-17-22(18-16-19)25(20-11-7-5-8-12-20)21-13-9-6-10-14-21;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h10-21H,1-9H3;7-19H,1-6H3;5-18H,4H2,1-3H3;1-11H;1-12H;1-6H/q6*+1
• InChIKey: GTQGLSAPYZHYTO-UHFFFAOYSA-N
• XLogP: 39.18
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2102.78
LogP ≤ 5	39.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium?

The IUPAC name of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium (CID 158362475) is bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium.

What is the SMILES notation for bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium?

The canonical SMILES for bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium is CC(C)(C)Oc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)(C)C)cc2)cc1.CCC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccccc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.

What is the InChIKey of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium?

The InChIKey is GTQGLSAPYZHYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O3S.C26H31O2S.C23H25OS.C18H11F2S.C18H12FS.C13H6F5S/c1-28(2,3)31-22-10-16-25(17-11-22)34(26-18-12-23(13-19-26)32-29(4,5)6)27-20-14-24(15-21-27)33-30(7,8)9;1-25(2,3)27-20-12-16-23(17-13-20)29(22-10-8-7-9-11-22)24-18-14-21(15-19-24)28-26(4,5)6;1-4-23(2,3)24-19-15-17-22(18-16-19)25(20-11-7-5-8-12-20)21-13-9-6-10-14-21;19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h10-21H,1-9H3;7-19H,1-6H3;5-18H,4H2,1-3H3;1-11H;1-12H;1-6H/q6*+1.

What are the key properties of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium?

bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium has a molecular weight of 2102.78 g/mol, XLogP of 39.18, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;2,8-difluoro-5-phenyldibenzothiophen-5-ium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-(2-methylbutan-2-yloxy)phenyl]-diphenylsulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium is sourced from PubChem (CID 158362475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).