(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine

C22H20NOP — CID 11290909

IUPAC(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine
SMILESCC(/C=C/c1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c1-19(17-18-20-11-5-2-6-12-20)23-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/b18-17+,23-19+
InChIKeyRQTXKWDBLSKRFB-IFGWPPESSA-N
MW345.38 g/mol
LogP5.09
Rot. Bonds5

About (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine

(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine (PubChem CID 11290909) has the molecular formula C22H20NOP and a molecular weight of 345.38 g/mol. Its IUPAC name is (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine.

Molecular Properties

Compound Name(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine
PubChem CID11290909
Molecular FormulaC22H20NOP
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine
SMILESCC(/C=C/c1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20NOP/c1-19(17-18-20-11-5-2-6-12-20)23-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/b18-17+,23-19+
InChIKeyRQTXKWDBLSKRFB-IFGWPPESSA-N
XLogP5.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.09
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,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

Tris(4-methylphenyl)phosphine oxide
CID 120383
Mls003115741
CID 326943
Tri-o-tolylphosphine oxide
CID 326944
P,P-Diphenyl-N-(phenylmethylene)phosphinic amide
CID 608413
(4-Methylphenyl)(oxo)diphenyl-lambda~5~-phosphane
CID 12550549
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
1-(Diphenylphosphoroso)-3-methylbenzene
CID 300120
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
Tris(3-tolyl)phosphine oxide
CID 10969251
Phosphine oxide, diphenyl(1-phenyl-1,2-propadienyl)-
CID 12149889

Frequently Asked Questions

What is the IUPAC name of (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine?
The IUPAC name of (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine (CID 11290909) is (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine.
What is the SMILES notation for (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine?
The canonical SMILES for (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine is CC(/C=C/c1ccccc1)=N\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine?
The InChIKey is RQTXKWDBLSKRFB-IFGWPPESSA-N. The full InChI is InChI=1S/C22H20NOP/c1-19(17-18-20-11-5-2-6-12-20)23-25(24,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3/b18-17+,23-19+.
What are the key properties of (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine?
(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine has a molecular weight of 345.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine is sourced from PubChem (CID 11290909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).