bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium

C185H158F15O10S9+9 — CID 165055030

About bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium

bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (PubChem CID 165055030) has the molecular formula C185H158F15O10S9+9 and a molecular weight of 3114.86 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

Molecular Properties

• Compound Name: bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• PubChem CID: 165055030
• Molecular Formula: C185H158F15O10S9+9
• Molecular Weight: 3114.86 g/mol
• Exact Mass: 3111.91
• IUPAC Name: bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• SMILES: CC(C)(C)OC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)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.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F
• InChI: InChI=1S/C26H31S.C24H24FOS.C23H23O3S.C19H12F3O2S.C19H12F3OS.C19H14F3OS.C19H14F3S.2C18H13FOS/c1-25(2,3)20-12-16-23(17-13-20)27(22-10-8-7-9-11-22)24-18-14-21(15-19-24)26(4,5)6;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;1-23(2,3)26-22(24)25-18-14-16-21(17-15-18)27(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/h7-19H,1-6H3;2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,1-3H3;1-12H;1-12H;1-14H;1-14H;2*1-13H/q7*+1;;/p+2
• InChIKey: QGUPVYHWZXGNFL-UHFFFAOYSA-P
• XLogP: 52.53
• TPSA: 122.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3114.86
LogP ≤ 5	52.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The IUPAC name of bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (CID 165055030) is bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

What is the SMILES notation for bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The canonical SMILES for bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is CC(C)(C)OC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)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.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.

What is the InChIKey of bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The InChIKey is QGUPVYHWZXGNFL-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H31S.C24H24FOS.C23H23O3S.C19H12F3O2S.C19H12F3OS.C19H14F3OS.C19H14F3S.2C18H13FOS/c1-25(2,3)20-12-16-23(17-13-20)27(22-10-8-7-9-11-22)24-18-14-21(15-19-24)26(4,5)6;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;1-23(2,3)26-22(24)25-18-14-16-21(17-15-18)27(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/h7-19H,1-6H3;2-7,10-15,18H,8-9,16-17H2,1H3;4-17H,1-3H3;1-12H;1-12H;1-14H;1-14H;2*1-13H/q7*+1;;/p+2.

What are the key properties of bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium has a molecular weight of 3114.86 g/mol, XLogP of 52.53, 28 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butylphenyl)-phenylsulfanium;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;[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethoxy)phenyl]phenoxathiin-10-ium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is sourced from PubChem (CID 165055030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).