[4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

C92H73F6O3S5+5 — CID 157111405

About [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

[4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 157111405) has the molecular formula C92H73F6O3S5+5 and a molecular weight of 1500.92 g/mol. Its IUPAC name is [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

• Compound Name: [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
• PubChem CID: 157111405
• Molecular Formula: C92H73F6O3S5+5
• Molecular Weight: 1500.92 g/mol
• Exact Mass: 1499.40
• IUPAC Name: [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
• SMILES: COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.OCc1ccc([S+]2c3ccccc3OC3C=CC=CC32)cc1
• InChI: InChI=1S/C19H17O2S.C19H17OS.C18H12F3S.C18H13F2S.C18H14FS/c20-13-14-9-11-15(12-10-14)22-18-7-3-1-5-16(18)21-17-6-2-4-8-19(17)22;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,16,18,20H,13H2;2-15H,1H3;1-12H;1-13H;1-14H/q5*+1
• InChIKey: AGWXIKBTNDUAIR-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1500.92
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?

The IUPAC name of [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (CID 157111405) is [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

What is the SMILES notation for [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?

The canonical SMILES for [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.OCc1ccc([S+]2c3ccccc3OC3C=CC=CC32)cc1.

What is the InChIKey of [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?

The InChIKey is AGWXIKBTNDUAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O2S.C19H17OS.C18H12F3S.C18H13F2S.C18H14FS/c20-13-14-9-11-15(12-10-14)22-18-7-3-1-5-16(18)21-17-6-2-4-8-19(17)22;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,16,18,20H,13H2;2-15H,1H3;1-12H;1-13H;1-14H/q5*+1.

What are the key properties of [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?

[4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 1500.92 g/mol, XLogP of 23.44, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4a,10a-dihydrophenoxathiin-10-ium-10-yl)phenyl]methanol;bis(4-fluorophenyl)-phenylsulfanium;(4-fluorophenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 157111405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).