dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium

C118H101NO3S7+6 — CID 159365607

About dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium (PubChem CID 159365607) has the molecular formula C118H101NO3S7+6 and a molecular weight of 1805.58 g/mol. Its IUPAC name is dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium
• PubChem CID: 159365607
• Molecular Formula: C118H101NO3S7+6
• Molecular Weight: 1805.58 g/mol
• Exact Mass: 1803.58
• IUPAC Name: dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium
• SMILES: 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.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;1-24-22-16-17-23(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;2-17H,1H3;2-16H,1H3;2-15H,1H3;1-13H;1,3-4,7-8H,2,5-6,9-10H2/q6*+1
• InChIKey: LJBZXCOLUDKVGF-UHFFFAOYSA-N
• XLogP: 31.07
• TPSA: 48.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1805.58
LogP ≤ 5	31.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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;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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium (CID 159365607) is dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;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;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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium is 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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium?

The InChIKey is LJBZXCOLUDKVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19S.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;1-24-22-16-17-23(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;2-17H,1H3;2-16H,1H3;2-15H,1H3;1-13H;1,3-4,7-8H,2,5-6,9-10H2/q6*+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;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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium has a molecular weight of 1805.58 g/mol, XLogP of 31.07, 16 rotatable bonds, 0 hydrogen bond donors, and 4 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;5-phenyldibenzothiophen-5-ium;1-phenylthian-1-ium is sourced from PubChem (CID 159365607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).