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

About dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium

dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium (PubChem CID 158329617) has the molecular formula C120H102N2O3S7+6 and a molecular weight of 1844.62 g/mol. Its IUPAC name is dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium.

Molecular Properties

Compound Name	dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium
PubChem CID	158329617
Molecular Formula	C120H102N2O3S7+6
Molecular Weight	1844.62 g/mol
Exact Mass	1842.59
IUPAC Name	dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium
SMILES	COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+](c2ccccc2)c2ccccc2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChI	InChI=1S/C26H19S.C23H19OS.C21H18NS.C19H17O2S2.C18H13S.C13H16NS/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;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14/h1-19H;2-17H,1H3;2-16H,1H3;2-15H,1H3;1-13H;2-3,6-7,10H,4-5,8-9H2,1H3/q6*+1
InChIKey	GPVPHWNGPMXDAB-UHFFFAOYSA-N
XLogP	31.17
TPSA	53.23 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	16
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1844.62
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

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;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium?

The IUPAC name of dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium (CID 158329617) is dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-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;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium?

The canonical SMILES for dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium is COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.CS(=O)(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cn1cc([S+](c2ccccc2)c2ccccc2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.

What is the InChIKey of dinaphthalen-1-yl(phenyl)sulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;(1-methylindol-3-yl)-diphenylsulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium?

The InChIKey is GPVPHWNGPMXDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19S.C23H19OS.C21H18NS.C19H17O2S2.C18H13S.C13H16NS/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;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14/h1-19H;2-17H,1H3;2-16H,1H3;2-15H,1H3;1-13H;2-3,6-7,10H,4-5,8-9H2,1H3/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;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium?

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;1-methyl-3-(thiolan-1-ium-1-yl)indole;5-phenyldibenzothiophen-5-ium is sourced from PubChem (CID 158329617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).