bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium

C26H23O3S+ — CID 132571477

IUPACbis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(OC)cc2)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C26H23O3S/c1-27-20-12-16-23(17-13-20)30(24-18-14-21(28-2)15-19-24)26-11-7-6-10-25(26)29-22-8-4-3-5-9-22/h3-19H,1-2H3/q+1
InChIKeyNZSVUVGBYGIQFT-UHFFFAOYSA-N
MW415.53 g/mol
LogP6.59
Rot. Bonds7

About bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium

bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium (PubChem CID 132571477) has the molecular formula C26H23O3S+ and a molecular weight of 415.53 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
PubChem CID132571477
Molecular FormulaC26H23O3S+
Molecular Weight415.53 g/mol
Exact Mass415.14
IUPAC Namebis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(OC)cc2)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C26H23O3S/c1-27-20-12-16-23(17-13-20)30(24-18-14-21(28-2)15-19-24)26-11-7-6-10-25(26)29-22-8-4-3-5-9-22/h3-19H,1-2H3/q+1
InChIKeyNZSVUVGBYGIQFT-UHFFFAOYSA-N
XLogP6.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 56.59
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

(2,3-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfanium
CID 151044563
[5-tert-butyl-2-(4-tert-butylphenoxy)phenyl]-bis(4-methoxyphenyl)sulfanium
CID 58908064
(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium
CID 58908090
2-(4-methoxyphenoxy)phenol
CID 54145402
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
2-(4-methoxyphenoxy)benzenediazonium
CID 10358242
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
anthracen-1-yl-(4-methoxyphenyl)-(4-methylphenyl)sulfanium
CID 158237615
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
CID 173331709

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium?
The IUPAC name of bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium (CID 132571477) is bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium.
What is the SMILES notation for bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium?
The canonical SMILES for bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium is COc1ccc([S+](c2ccc(OC)cc2)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium?
The InChIKey is NZSVUVGBYGIQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23O3S/c1-27-20-12-16-23(17-13-20)30(24-18-14-21(28-2)15-19-24)26-11-7-6-10-25(26)29-22-8-4-3-5-9-22/h3-19H,1-2H3/q+1.
What are the key properties of bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium?
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium has a molecular weight of 415.53 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium is sourced from PubChem (CID 132571477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).