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

C23H25N2P — CID 2783789

IUPAC1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane
SMILESc1ccc(CN2CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1
InChIInChI=1S/C23H25N2P/c1-4-10-21(11-5-1)16-24-18-25(17-22-12-6-2-7-13-22)20-26(19-24)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyIBEQWAVMMWLFEI-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.68
Rot. Bonds5

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

1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane (PubChem CID 2783789) has the molecular formula C23H25N2P and a molecular weight of 360.44 g/mol. Its IUPAC name is 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane.

Molecular Properties

Compound Name1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane
PubChem CID2783789
Molecular FormulaC23H25N2P
Molecular Weight360.44 g/mol
Exact Mass360.18
IUPAC Name1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane
SMILESc1ccc(CN2CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1
InChIInChI=1S/C23H25N2P/c1-4-10-21(11-5-1)16-24-18-25(17-22-12-6-2-7-13-22)20-26(19-24)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyIBEQWAVMMWLFEI-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane?
The IUPAC name of 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane (CID 2783789) is 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane.
What is the SMILES notation for 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane?
The canonical SMILES for 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane is c1ccc(CN2CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1.
What is the InChIKey of 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane?
The InChIKey is IBEQWAVMMWLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2P/c1-4-10-21(11-5-1)16-24-18-25(17-22-12-6-2-7-13-22)20-26(19-24)23-14-8-3-9-15-23/h1-15H,16-20H2.
What are the key properties of 1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane?
1,3-dibenzyl-5-phenyl-1,3,5-diazaphosphinane has a molecular weight of 360.44 g/mol, XLogP of 4.68, 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-1,3,5-diazaphosphinane is sourced from PubChem (CID 2783789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).