N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

C23H20NO2P — CID 2324339

IUPACN-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NCc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H20NO2P/c25-27(24-16-19-10-4-1-5-11-19)17-22(20-12-6-2-7-13-20)26-23(18-27)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,24,25)
InChIKeyFEPDQJJGYSXWTL-UHFFFAOYSA-N
MW373.39 g/mol
LogP6.08
Rot. Bonds5

About N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine

N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 2324339) has the molecular formula C23H20NO2P and a molecular weight of 373.39 g/mol. Its IUPAC name is N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
PubChem CID2324339
Molecular FormulaC23H20NO2P
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
SMILESO=P1(NCc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C23H20NO2P/c25-27(24-16-19-10-4-1-5-11-19)17-22(20-12-6-2-7-13-20)26-23(18-27)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,24,25)
InChIKeyFEPDQJJGYSXWTL-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.39
LogP ≤ 56.08
H-Bond Donors ≤ 51
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 N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine (CID 2324339) is N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is O=P1(NCc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is FEPDQJJGYSXWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO2P/c25-27(24-16-19-10-4-1-5-11-19)17-22(20-12-6-2-7-13-20)26-23(18-27)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H,24,25).
What are the key properties of N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine?
N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 373.39 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 2324339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).