1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane

C23H25N2PSe — CID 3067414

IUPAC1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
SMILES[Se]=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N2PSe/c27-26(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-26)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKeyDEQNYYIEOIYTII-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.30
Rot. Bonds5

About 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane

1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane (PubChem CID 3067414) has the molecular formula C23H25N2PSe and a molecular weight of 439.40 g/mol. Its IUPAC name is 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane.

Molecular Properties

Compound Name1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
PubChem CID3067414
Molecular FormulaC23H25N2PSe
Molecular Weight439.40 g/mol
Exact Mass440.09
IUPAC Name1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane
SMILES[Se]=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N2PSe/c27-26(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-26)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKeyDEQNYYIEOIYTII-UHFFFAOYSA-N
XLogP4.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane?
The IUPAC name of 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane (CID 3067414) is 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane.
What is the SMILES notation for 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane?
The canonical SMILES for 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane is [Se]=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1.
What is the InChIKey of 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane?
The InChIKey is DEQNYYIEOIYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2PSe/c27-26(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-26)17-22-12-6-2-7-13-22/h1-15H,16-20H2.
What are the key properties of 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane?
1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane has a molecular weight of 439.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5-phenyl-5-selanylidene-1,3,5lambda5-diazaphosphinane is sourced from PubChem (CID 3067414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).