(111C)methyl(triphenyl)arsanium iodide

C19H18AsI — CID 10813300

IUPAC(111C)methyl(triphenyl)arsanium iodide
SMILES[11CH3][As+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1/i1-1;
InChIKeyGHLKOMSNOFJXDT-ULWFUOSBSA-M
MW447.18 g/mol
LogP-0.21
Rot. Bonds3

About (111C)methyl(triphenyl)arsanium iodide

(111C)methyl(triphenyl)arsanium iodide (PubChem CID 10813300) has the molecular formula C19H18AsI and a molecular weight of 447.18 g/mol. Its IUPAC name is (111C)methyl(triphenyl)arsanium iodide.

Molecular Properties

Compound Name(111C)methyl(triphenyl)arsanium iodide
PubChem CID10813300
Molecular FormulaC19H18AsI
Molecular Weight447.18 g/mol
Exact Mass446.98
IUPAC Name(111C)methyl(triphenyl)arsanium iodide
SMILES[11CH3][As+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1/i1-1;
InChIKeyGHLKOMSNOFJXDT-ULWFUOSBSA-M
XLogP-0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.18
LogP ≤ 5-0.21
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 (111C)methyl(triphenyl)arsanium iodide?
The IUPAC name of (111C)methyl(triphenyl)arsanium iodide (CID 10813300) is (111C)methyl(triphenyl)arsanium iodide.
What is the SMILES notation for (111C)methyl(triphenyl)arsanium iodide?
The canonical SMILES for (111C)methyl(triphenyl)arsanium iodide is [11CH3][As+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of (111C)methyl(triphenyl)arsanium iodide?
The InChIKey is GHLKOMSNOFJXDT-ULWFUOSBSA-M. The full InChI is InChI=1S/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1/i1-1;.
What are the key properties of (111C)methyl(triphenyl)arsanium iodide?
(111C)methyl(triphenyl)arsanium iodide has a molecular weight of 447.18 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methyl(triphenyl)arsanium iodide is sourced from PubChem (CID 10813300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).