N-diphenylphosphoryl-1-phenylethanimine

C20H18NOP — CID 85073507

IUPACN-diphenylphosphoryl-1-phenylethanimine
SMILESCC(=NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NOP/c1-17(18-11-5-2-6-12-18)21-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyJNGZNLJDWCXARP-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.42
Rot. Bonds4

About N-diphenylphosphoryl-1-phenylethanimine

N-diphenylphosphoryl-1-phenylethanimine (PubChem CID 85073507) has the molecular formula C20H18NOP and a molecular weight of 319.34 g/mol. Its IUPAC name is N-diphenylphosphoryl-1-phenylethanimine.

Molecular Properties

Compound NameN-diphenylphosphoryl-1-phenylethanimine
PubChem CID85073507
Molecular FormulaC20H18NOP
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC NameN-diphenylphosphoryl-1-phenylethanimine
SMILESCC(=NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NOP/c1-17(18-11-5-2-6-12-18)21-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyJNGZNLJDWCXARP-UHFFFAOYSA-N
XLogP4.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-diphenylphosphoryl-1-phenylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-1-phenylethanimine?
The IUPAC name of N-diphenylphosphoryl-1-phenylethanimine (CID 85073507) is N-diphenylphosphoryl-1-phenylethanimine.
What is the SMILES notation for N-diphenylphosphoryl-1-phenylethanimine?
The canonical SMILES for N-diphenylphosphoryl-1-phenylethanimine is CC(=NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-1-phenylethanimine?
The InChIKey is JNGZNLJDWCXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NOP/c1-17(18-11-5-2-6-12-18)21-23(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of N-diphenylphosphoryl-1-phenylethanimine?
N-diphenylphosphoryl-1-phenylethanimine has a molecular weight of 319.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-1-phenylethanimine is sourced from PubChem (CID 85073507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).