(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine

C28H24NO3P — CID 10503852

IUPAC(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
SMILESCOc1ccc(C2COc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24NO3P/c1-31-22-18-16-21(17-19-22)26-20-32-27-15-9-8-14-25(27)28(26)29-33(30,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19,26H,20H2,1H3/b29-28-
InChIKeyKIJJZKAWUBIEDG-ZIADKAODSA-N
MW453.48 g/mol
LogP5.59
Rot. Bonds5

About (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine

(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine (PubChem CID 10503852) has the molecular formula C28H24NO3P and a molecular weight of 453.48 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
PubChem CID10503852
Molecular FormulaC28H24NO3P
Molecular Weight453.48 g/mol
Exact Mass453.15
IUPAC Name(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
SMILESCOc1ccc(C2COc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24NO3P/c1-31-22-18-16-21(17-19-22)26-20-32-27-15-9-8-14-25(27)28(26)29-33(30,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19,26H,20H2,1H3/b29-28-
InChIKeyKIJJZKAWUBIEDG-ZIADKAODSA-N
XLogP5.59
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine 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-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine (CID 10503852) is (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine is COc1ccc(C2COc3ccccc3/C2=N/P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
The InChIKey is KIJJZKAWUBIEDG-ZIADKAODSA-N. The full InChI is InChI=1S/C28H24NO3P/c1-31-22-18-16-21(17-19-22)26-20-32-27-15-9-8-14-25(27)28(26)29-33(30,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-19,26H,20H2,1H3/b29-28-.
What are the key properties of (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine?
(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine has a molecular weight of 453.48 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine is sourced from PubChem (CID 10503852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).