triphenyl(trideuterio(113C)methyl)phosphanium iodide

C19H18IP — CID 46782331

IUPACtriphenyl(trideuterio(113C)methyl)phosphanium iodide
SMILES[2H][13C]([2H])([2H])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C19H18P.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+1D3;
InChIKeyJNMIXMFEVJHFNY-SPZGMPHYSA-M
MW408.24 g/mol
LogP0.61
Rot. Bonds4

About triphenyl(trideuterio(113C)methyl)phosphanium iodide

triphenyl(trideuterio(113C)methyl)phosphanium iodide (PubChem CID 46782331) has the molecular formula C19H18IP and a molecular weight of 408.24 g/mol. Its IUPAC name is triphenyl(trideuterio(113C)methyl)phosphanium iodide.

Molecular Properties

Compound Nametriphenyl(trideuterio(113C)methyl)phosphanium iodide
PubChem CID46782331
Molecular FormulaC19H18IP
Molecular Weight408.24 g/mol
Exact Mass408.04
IUPAC Nametriphenyl(trideuterio(113C)methyl)phosphanium iodide
SMILES[2H][13C]([2H])([2H])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C19H18P.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+1D3;
InChIKeyJNMIXMFEVJHFNY-SPZGMPHYSA-M
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(trideuterio(113C)methyl)phosphanium iodide?
The IUPAC name of triphenyl(trideuterio(113C)methyl)phosphanium iodide (CID 46782331) is triphenyl(trideuterio(113C)methyl)phosphanium iodide.
What is the SMILES notation for triphenyl(trideuterio(113C)methyl)phosphanium iodide?
The canonical SMILES for triphenyl(trideuterio(113C)methyl)phosphanium iodide is [2H][13C]([2H])([2H])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of triphenyl(trideuterio(113C)methyl)phosphanium iodide?
The InChIKey is JNMIXMFEVJHFNY-SPZGMPHYSA-M. The full InChI is InChI=1S/C19H18P.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+1D3;.
What are the key properties of triphenyl(trideuterio(113C)methyl)phosphanium iodide?
triphenyl(trideuterio(113C)methyl)phosphanium iodide has a molecular weight of 408.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(trideuterio(113C)methyl)phosphanium iodide is sourced from PubChem (CID 46782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).