methyl(triphenyl)phosphanium iodide

C19H18IP — CID 638159

IUPACmethyl(triphenyl)phosphanium iodide
SMILESC[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
InChIKeyJNMIXMFEVJHFNY-UHFFFAOYSA-M
MW404.23 g/mol
LogP0.61
Rot. Bonds3

About methyl(triphenyl)phosphanium iodide

methyl(triphenyl)phosphanium iodide (PubChem CID 638159) has the molecular formula C19H18IP and a molecular weight of 404.23 g/mol. Its IUPAC name is methyl(triphenyl)phosphanium iodide.

Molecular Properties

Compound Namemethyl(triphenyl)phosphanium iodide
PubChem CID638159
Molecular FormulaC19H18IP
Molecular Weight404.23 g/mol
Exact Mass404.02
IUPAC Namemethyl(triphenyl)phosphanium iodide
SMILESC[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
InChIKeyJNMIXMFEVJHFNY-UHFFFAOYSA-M
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
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 methyl(triphenyl)phosphanium iodide?
The IUPAC name of methyl(triphenyl)phosphanium iodide (CID 638159) is methyl(triphenyl)phosphanium iodide.
What is the SMILES notation for methyl(triphenyl)phosphanium iodide?
The canonical SMILES for methyl(triphenyl)phosphanium iodide is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of methyl(triphenyl)phosphanium iodide?
The InChIKey is JNMIXMFEVJHFNY-UHFFFAOYSA-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.
What are the key properties of methyl(triphenyl)phosphanium iodide?
methyl(triphenyl)phosphanium iodide has a molecular weight of 404.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)phosphanium iodide is sourced from PubChem (CID 638159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).