(E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine

C22H20NOP — CID 177417010

IUPAC(E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine
SMILESC=CCc1ccccc1/C=N/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c1-2-11-19-12-9-10-13-20(19)18-23-25(24,21-14-5-3-6-15-21)22-16-7-4-8-17-22/h2-10,12-18H,1,11H2/b23-18+
InChIKeyXRNSSZXOWYITPM-PTGBLXJZSA-N
MW345.38 g/mol
LogP4.76
Rot. Bonds6

About (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine

(E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine (PubChem CID 177417010) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine
PubChem CID177417010
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name(E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine
SMILESC=CCc1ccccc1/C=N/P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c1-2-11-19-12-9-10-13-20(19)18-23-25(24,21-14-5-3-6-15-21)22-16-7-4-8-17-22/h2-10,12-18H,1,11H2/b23-18+
InChIKeyXRNSSZXOWYITPM-PTGBLXJZSA-N
XLogP4.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine 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 (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine (CID 177417010) is (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine is C=CCc1ccccc1/C=N/P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine?
The InChIKey is XRNSSZXOWYITPM-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H20NOP/c1-2-11-19-12-9-10-13-20(19)18-23-25(24,21-14-5-3-6-15-21)22-16-7-4-8-17-22/h2-10,12-18H,1,11H2/b23-18+.
What are the key properties of (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine?
(E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine has a molecular weight of 345.38 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-(2-prop-2-enylphenyl)methanimine is sourced from PubChem (CID 177417010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).