diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane

C23H27NO3P2 — CID 10048153

IUPACdiethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
SMILESCCOP(=O)(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C23H27NO3P2/c1-3-26-28(25,27-4-2)20-24-29(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3
InChIKeyXXFJKIKMDPKQOC-UHFFFAOYSA-N
MW427.42 g/mol
LogP5.39
Rot. Bonds9

About diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane

diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane (PubChem CID 10048153) has the molecular formula C23H27NO3P2 and a molecular weight of 427.42 g/mol. Its IUPAC name is diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane.

Molecular Properties

Compound Namediethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
PubChem CID10048153
Molecular FormulaC23H27NO3P2
Molecular Weight427.42 g/mol
Exact Mass427.15
IUPAC Namediethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane
SMILESCCOP(=O)(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C23H27NO3P2/c1-3-26-28(25,27-4-2)20-24-29(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3
InChIKeyXXFJKIKMDPKQOC-UHFFFAOYSA-N
XLogP5.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
dimethyl (2E)-2-(diethoxyphosphorylmethylimino)-3-(triphenyl-λ5-phosphanylidene)butanedioate
CID 23229056
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
2-diethoxyphosphorylethylbenzene
CID 3448525
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
(E)-1-(2-chlorophenyl)-N-(diethoxyphosphorylmethyl)methanimine
CID 13117188
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane?
The IUPAC name of diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane (CID 10048153) is diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane.
What is the SMILES notation for diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane?
The canonical SMILES for diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane is CCOP(=O)(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane?
The InChIKey is XXFJKIKMDPKQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3P2/c1-3-26-28(25,27-4-2)20-24-29(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3.
What are the key properties of diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane?
diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane has a molecular weight of 427.42 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylimino(triphenyl)-lambda5-phosphane is sourced from PubChem (CID 10048153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).