(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium

C25H23O3S+ — CID 58908090

IUPAC(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C25H23O3S/c1-26-18-8-12-20(13-9-18)29(21-14-10-19(27-2)11-15-21)25-17-16-24(28-3)22-6-4-5-7-23(22)25/h4-17H,1-3H3/q+1
InChIKeyJTSGSDMRSAPOGU-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.96
Rot. Bonds6

About (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium

(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium (PubChem CID 58908090) has the molecular formula C25H23O3S+ and a molecular weight of 403.52 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium
PubChem CID58908090
Molecular FormulaC25H23O3S+
Molecular Weight403.52 g/mol
Exact Mass403.14
IUPAC Name(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C25H23O3S/c1-26-18-8-12-20(13-9-18)29(21-14-10-19(27-2)11-15-21)25-17-16-24(28-3)22-6-4-5-7-23(22)25/h4-17H,1-3H3/q+1
InChIKeyJTSGSDMRSAPOGU-UHFFFAOYSA-N
XLogP5.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 158237615
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
CID 132571477
(2,3-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfanium
CID 151044563
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
[5-tert-butyl-2-(4-tert-butylphenoxy)phenyl]-bis(4-methoxyphenyl)sulfanium
CID 58908064
diphenyl-(4-prop-2-enoyloxynaphthalen-1-yl)sulfanium
CID 158173265
1-chloro-4-methoxynaphthalene
CID 606038
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
CID 173331709
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-bromo-4-methoxynaphthalene;ethane
CID 143974048

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium?
The IUPAC name of (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium (CID 58908090) is (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium is COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)c3ccccc23)cc1.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium?
The InChIKey is JTSGSDMRSAPOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23O3S/c1-26-18-8-12-20(13-9-18)29(21-14-10-19(27-2)11-15-21)25-17-16-24(28-3)22-6-4-5-7-23(22)25/h4-17H,1-3H3/q+1.
What are the key properties of (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium?
(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium has a molecular weight of 403.52 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium is sourced from PubChem (CID 58908090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).