(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine

C23H18NOP — CID 11382689

IUPAC(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine
SMILESO=P(/N=C/c1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18NOP/c25-26(21-13-3-1-4-14-21,22-15-5-2-6-16-22)24-18-20-12-9-11-19-10-7-8-17-23(19)20/h1-18H/b24-18+
InChIKeyDKLAOWGSJCTRGH-HKOYGPOVSA-N
MW355.38 g/mol
LogP5.19
Rot. Bonds4

About (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine

(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine (PubChem CID 11382689) has the molecular formula C23H18NOP and a molecular weight of 355.38 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine
PubChem CID11382689
Molecular FormulaC23H18NOP
Molecular Weight355.38 g/mol
Exact Mass355.11
IUPAC Name(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine
SMILESO=P(/N=C/c1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18NOP/c25-26(21-13-3-1-4-14-21,22-15-5-2-6-16-22)24-18-20-12-9-11-19-10-7-8-17-23(19)20/h1-18H/b24-18+
InChIKeyDKLAOWGSJCTRGH-HKOYGPOVSA-N
XLogP5.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.38
LogP ≤ 55.19
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 (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine 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-naphthalen-1-ylmethanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine (CID 11382689) is (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine is O=P(/N=C/c1cccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine?
The InChIKey is DKLAOWGSJCTRGH-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H18NOP/c25-26(21-13-3-1-4-14-21,22-15-5-2-6-16-22)24-18-20-12-9-11-19-10-7-8-17-23(19)20/h1-18H/b24-18+.
What are the key properties of (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine?
(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine has a molecular weight of 355.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 11382689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).