dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium

C141H133INO7S7+7 — CID 159400782

About dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium

dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium (PubChem CID 159400782) has the molecular formula C141H133INO7S7+7 and a molecular weight of 2304.99 g/mol. Its IUPAC name is dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium.

Molecular Properties

• Compound Name: dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium
• PubChem CID: 159400782
• Molecular Formula: C141H133INO7S7+7
• Molecular Weight: 2304.99 g/mol
• Exact Mass: 2302.71
• IUPAC Name: dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium
• SMILES: CCCCCCCCOc1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+](c2ccccc2)c2ccccc2)c2ccccc21.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+]2CCCCC2)cc1
• InChI: InChI=1S/C26H19S.C23H32IO4.C23H19OS.C21H18NS.C19H17O2S2.C18H13S.C11H15S/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-5-6-7-8-9-10-15-28-19-13-11-18(12-14-19)24-23-21(26-3)16-20(25-2)17-22(23)27-4;1-24-22-16-17-23(21-15-9-8-14-20(21)22)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-22-16-21(19-14-8-9-15-20(19)22)23(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-23(20,21)19-14-12-18(13-15-19)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-19H;11-14,16-17H,5-10,15H2,1-4H3;2-17H,1H3;2-16H,1H3;2-15H,1H3;1-13H;1,3-4,7-8H,2,5-6,9-10H2/q7*+1
• InChIKey: LNHUJFAVBIUZHX-UHFFFAOYSA-N
• XLogP: 33.65
• TPSA: 85.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2304.99
LogP ≤ 5	33.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium?

The IUPAC name of dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium (CID 159400782) is dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium.

What is the SMILES notation for dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium?

The canonical SMILES for dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium is CCCCCCCCOc1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+](c2ccccc2)c2ccccc2)c2ccccc21.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+]2CCCCC2)cc1.

What is the InChIKey of dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium?

The InChIKey is LNHUJFAVBIUZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19S.C23H32IO4.C23H19OS.C21H18NS.C19H17O2S2.C18H13S.C11H15S/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-5-6-7-8-9-10-15-28-19-13-11-18(12-14-19)24-23-21(26-3)16-20(25-2)17-22(23)27-4;1-24-22-16-17-23(21-15-9-8-14-20(21)22)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-22-16-21(19-14-8-9-15-20(19)22)23(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-23(20,21)19-14-12-18(13-15-19)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-19H;11-14,16-17H,5-10,15H2,1-4H3;2-17H,1H3;2-16H,1H3;2-15H,1H3;1-13H;1,3-4,7-8H,2,5-6,9-10H2/q7*+1.

What are the key properties of dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium?

dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium has a molecular weight of 2304.99 g/mol, XLogP of 33.65, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;(4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium is sourced from PubChem (CID 159400782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).