tetraphenylarsanium;chloride;hydroiodide

C24H21AsClI — CID 172799247

IUPACtetraphenylarsanium;chloride;hydroiodide
SMILESI.[Cl-].c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20As.ClH.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;/h1-20H;2*1H/q+1;;/p-1
InChIKeyXXJBZCAZLGYYEM-UHFFFAOYSA-M
MW546.71 g/mol
LogP0.69
Rot. Bonds4

About tetraphenylarsanium;chloride;hydroiodide

tetraphenylarsanium;chloride;hydroiodide (PubChem CID 172799247) has the molecular formula C24H21AsClI and a molecular weight of 546.71 g/mol. Its IUPAC name is tetraphenylarsanium;chloride;hydroiodide.

Molecular Properties

Compound Nametetraphenylarsanium;chloride;hydroiodide
PubChem CID172799247
Molecular FormulaC24H21AsClI
Molecular Weight546.71 g/mol
Exact Mass545.96
IUPAC Nametetraphenylarsanium;chloride;hydroiodide
SMILESI.[Cl-].c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20As.ClH.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;/h1-20H;2*1H/q+1;;/p-1
InChIKeyXXJBZCAZLGYYEM-UHFFFAOYSA-M
XLogP0.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.71
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetraphenylarsanium;chloride;hydroiodide?
The IUPAC name of tetraphenylarsanium;chloride;hydroiodide (CID 172799247) is tetraphenylarsanium;chloride;hydroiodide.
What is the SMILES notation for tetraphenylarsanium;chloride;hydroiodide?
The canonical SMILES for tetraphenylarsanium;chloride;hydroiodide is I.[Cl-].c1ccc([As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylarsanium;chloride;hydroiodide?
The InChIKey is XXJBZCAZLGYYEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20As.ClH.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;/h1-20H;2*1H/q+1;;/p-1.
What are the key properties of tetraphenylarsanium;chloride;hydroiodide?
tetraphenylarsanium;chloride;hydroiodide has a molecular weight of 546.71 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylarsanium;chloride;hydroiodide is sourced from PubChem (CID 172799247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).