dimethylamino(triphenyl)phosphanium

C20H21NP+ — CID 19035099

IUPACdimethylamino(triphenyl)phosphanium
SMILESCN(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NP/c1-21(2)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3/q+1
InChIKeyBHFRSJBIUDOLDB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.46
Rot. Bonds4

About dimethylamino(triphenyl)phosphanium

dimethylamino(triphenyl)phosphanium (PubChem CID 19035099) has the molecular formula C20H21NP+ and a molecular weight of 306.37 g/mol. Its IUPAC name is dimethylamino(triphenyl)phosphanium.

Molecular Properties

Compound Namedimethylamino(triphenyl)phosphanium
PubChem CID19035099
Molecular FormulaC20H21NP+
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namedimethylamino(triphenyl)phosphanium
SMILESCN(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NP/c1-21(2)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3/q+1
InChIKeyBHFRSJBIUDOLDB-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino(triphenyl)phosphanium?
The IUPAC name of dimethylamino(triphenyl)phosphanium (CID 19035099) is dimethylamino(triphenyl)phosphanium.
What is the SMILES notation for dimethylamino(triphenyl)phosphanium?
The canonical SMILES for dimethylamino(triphenyl)phosphanium is CN(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethylamino(triphenyl)phosphanium?
The InChIKey is BHFRSJBIUDOLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NP/c1-21(2)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,1-2H3/q+1.
What are the key properties of dimethylamino(triphenyl)phosphanium?
dimethylamino(triphenyl)phosphanium has a molecular weight of 306.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(triphenyl)phosphanium is sourced from PubChem (CID 19035099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).