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

C23H25N2OP — CID 3058098

IUPAC1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
SMILESO=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N2OP/c26-27(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-27)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKeyCPTTVZPDNYTFSJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.57
Rot. Bonds5

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

1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide (PubChem CID 3058098) has the molecular formula C23H25N2OP and a molecular weight of 376.44 g/mol. Its IUPAC name is 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide.

Molecular Properties

Compound Name1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
PubChem CID3058098
Molecular FormulaC23H25N2OP
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide
SMILESO=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N2OP/c26-27(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-27)17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKeyCPTTVZPDNYTFSJ-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Tribenzylhexahydro-1,3,5-triazine
CID 75685
1,3,5-Diazaphosphorine, hexahydro-1,3-bis(phenylmethyl)-5-phenyl-, 5-sulfide
CID 1381886
Tribenzyl isocyanurate
CID 11805
1,3-Dibenzylhexahydropyrimidine
CID 13619470
1,3-Dibenzyl-2-(2-fluorophenyl)-1,3-diazinane
CID 2294660
1,3,5-Diazaphosphorine, hexahydro-1,3-bis(phenylmethyl)-5-phenyl-
CID 2783789
1,3,5-Diazaphosphorine, hexahydro-1,3-bis(phenylmethyl)-5-phenyl-, 5-selenide
CID 3067414
1-(2-(Diphenylphosphanyl)phenyl)-N,N-dimethylmethanamine
CID 11370610
1,3-Dibenzyl-2-methyl-hexahydropyrimidine
CID 76324434
Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)-
CID 103513
1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide
CID 3070061
N-(diphenylphosphorylmethyl)-1-phenylmethanamine
CID 4603345

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
The IUPAC name of 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide (CID 3058098) is 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide.
What is the SMILES notation for 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
The canonical SMILES for 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide is O=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1.
What is the InChIKey of 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
The InChIKey is CPTTVZPDNYTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2OP/c26-27(23-14-8-3-9-15-23)19-24(16-21-10-4-1-5-11-21)18-25(20-27)17-22-12-6-2-7-13-22/h1-15H,16-20H2.
What are the key properties of 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide?
1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide has a molecular weight of 376.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5-phenyl-1,3,5lambda5-diazaphosphinane 5-oxide is sourced from PubChem (CID 3058098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).