diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one

C195H156O5S11+10 — CID 157186751

About diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one

diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one (PubChem CID 157186751) has the molecular formula C195H156O5S11+10 and a molecular weight of 2932.12 g/mol. Its IUPAC name is diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one.

Molecular Properties

• Compound Name: diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one
• PubChem CID: 157186751
• Molecular Formula: C195H156O5S11+10
• Molecular Weight: 2932.12 g/mol
• Exact Mass: 2928.88
• IUPAC Name: diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one
• SMILES: CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=c1c2ccccc2[s+](-c2ccccc2)c2ccccc12.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1
• InChI: InChI=1S/2C22H17S.C21H21OS.C20H19OS.C19H13OS.C19H15S.C18H13OS.C18H14OS.C18H13S2.C18H13S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-2-17-22-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;20-19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h2*1-17H;3-16H,2,17H2,1H3;3-16H,2H2,1H3;1-13H;1-13H,14H2;1-13H;1-14H;1-13H;1-13H/q7*+1;;2*+1/p+1
• InChIKey: APFDMULUOFUWBW-UHFFFAOYSA-O
• XLogP: 52.75
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2932.12
LogP ≤ 5	52.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one?

The IUPAC name of diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one (CID 157186751) is diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one.

What is the SMILES notation for diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one?

The canonical SMILES for diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one is CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=c1c2ccccc2[s+](-c2ccccc2)c2ccccc12.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc3ccccc3c2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.

What is the InChIKey of diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one?

The InChIKey is APFDMULUOFUWBW-UHFFFAOYSA-O. The full InChI is InChI=1S/2C22H17S.C21H21OS.C20H19OS.C19H13OS.C19H15S.C18H13OS.C18H14OS.C18H13S2.C18H13S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22;1-2-17-22-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;20-19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)19;1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h2*1-17H;3-16H,2,17H2,1H3;3-16H,2H2,1H3;1-13H;1-13H,14H2;1-13H;1-14H;1-13H;1-13H/q7*+1;;2*+1/p+1.

What are the key properties of diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one?

diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one has a molecular weight of 2932.12 g/mol, XLogP of 52.75, 25 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(4-propoxyphenyl)sulfanium;(4-ethoxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;5-phenylthianthren-5-ium;10-phenyl-9H-thioxanthen-10-ium;10-phenylthioxanthen-10-ium-9-one is sourced from PubChem (CID 157186751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).