tris(4-methoxyphenyl)-phenylarsanium

C27H26AsO3+ — CID 140501563

IUPACtris(4-methoxyphenyl)-phenylarsanium
SMILESCOc1ccc([As+](c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26AsO3/c1-29-25-15-9-22(10-16-25)28(21-7-5-4-6-8-21,23-11-17-26(30-2)18-12-23)24-13-19-27(31-3)20-14-24/h4-20H,1-3H3/q+1
InChIKeyTZCXSDCFNUDAMB-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.09
Rot. Bonds7

About tris(4-methoxyphenyl)-phenylarsanium

tris(4-methoxyphenyl)-phenylarsanium (PubChem CID 140501563) has the molecular formula C27H26AsO3+ and a molecular weight of 473.42 g/mol. Its IUPAC name is tris(4-methoxyphenyl)-phenylarsanium.

Molecular Properties

Compound Nametris(4-methoxyphenyl)-phenylarsanium
PubChem CID140501563
Molecular FormulaC27H26AsO3+
Molecular Weight473.42 g/mol
Exact Mass473.11
IUPAC Nametris(4-methoxyphenyl)-phenylarsanium
SMILESCOc1ccc([As+](c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H26AsO3/c1-29-25-15-9-22(10-16-25)28(21-7-5-4-6-8-21,23-11-17-26(30-2)18-12-23)24-13-19-27(31-3)20-14-24/h4-20H,1-3H3/q+1
InChIKeyTZCXSDCFNUDAMB-UHFFFAOYSA-N
XLogP3.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-methoxyphenyl)-phenylarsanium?
The IUPAC name of tris(4-methoxyphenyl)-phenylarsanium (CID 140501563) is tris(4-methoxyphenyl)-phenylarsanium.
What is the SMILES notation for tris(4-methoxyphenyl)-phenylarsanium?
The canonical SMILES for tris(4-methoxyphenyl)-phenylarsanium is COc1ccc([As+](c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of tris(4-methoxyphenyl)-phenylarsanium?
The InChIKey is TZCXSDCFNUDAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26AsO3/c1-29-25-15-9-22(10-16-25)28(21-7-5-4-6-8-21,23-11-17-26(30-2)18-12-23)24-13-19-27(31-3)20-14-24/h4-20H,1-3H3/q+1.
What are the key properties of tris(4-methoxyphenyl)-phenylarsanium?
tris(4-methoxyphenyl)-phenylarsanium has a molecular weight of 473.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxyphenyl)-phenylarsanium is sourced from PubChem (CID 140501563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).