[amino(phenyl)methyl]-triphenylphosphanium

C25H23NP+ — CID 174402804

IUPAC[amino(phenyl)methyl]-triphenylphosphanium
SMILESNC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP/c26-25(21-13-5-1-6-14-21)27(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,26H2/q+1
InChIKeyPYIMYERDDOHCDC-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.64
Rot. Bonds5

About [amino(phenyl)methyl]-triphenylphosphanium

[amino(phenyl)methyl]-triphenylphosphanium (PubChem CID 174402804) has the molecular formula C25H23NP+ and a molecular weight of 368.44 g/mol. Its IUPAC name is [amino(phenyl)methyl]-triphenylphosphanium.

Molecular Properties

Compound Name[amino(phenyl)methyl]-triphenylphosphanium
PubChem CID174402804
Molecular FormulaC25H23NP+
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name[amino(phenyl)methyl]-triphenylphosphanium
SMILESNC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP/c26-25(21-13-5-1-6-14-21)27(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,26H2/q+1
InChIKeyPYIMYERDDOHCDC-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 [amino(phenyl)methyl]-triphenylphosphanium?
The IUPAC name of [amino(phenyl)methyl]-triphenylphosphanium (CID 174402804) is [amino(phenyl)methyl]-triphenylphosphanium.
What is the SMILES notation for [amino(phenyl)methyl]-triphenylphosphanium?
The canonical SMILES for [amino(phenyl)methyl]-triphenylphosphanium is NC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [amino(phenyl)methyl]-triphenylphosphanium?
The InChIKey is PYIMYERDDOHCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP/c26-25(21-13-5-1-6-14-21)27(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H,26H2/q+1.
What are the key properties of [amino(phenyl)methyl]-triphenylphosphanium?
[amino(phenyl)methyl]-triphenylphosphanium has a molecular weight of 368.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl]-triphenylphosphanium is sourced from PubChem (CID 174402804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).