4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine

C24H22NO2P — CID 5069860

IUPAC4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1
InChIInChI=1S/C24H22NO2P/c1-19(20-11-5-2-6-12-20)25-28(26)17-23(21-13-7-3-8-14-21)27-24(18-28)22-15-9-4-10-16-22/h2-19H,1H3,(H,25,26)
InChIKeyTVZRHMCKCCNGLB-UHFFFAOYSA-N
MW387.42 g/mol
LogP6.64
Rot. Bonds5

About 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine

4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine (PubChem CID 5069860) has the molecular formula C24H22NO2P and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound Name4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine
PubChem CID5069860
Molecular FormulaC24H22NO2P
Molecular Weight387.42 g/mol
Exact Mass387.14
IUPAC Name4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1
InChIInChI=1S/C24H22NO2P/c1-19(20-11-5-2-6-12-20)25-28(26)17-23(21-13-7-3-8-14-21)27-24(18-28)22-15-9-4-10-16-22/h2-19H,1H3,(H,25,26)
InChIKeyTVZRHMCKCCNGLB-UHFFFAOYSA-N
XLogP6.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 56.64
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 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine (CID 5069860) is 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine is CC(NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1.
What is the InChIKey of 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is TVZRHMCKCCNGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NO2P/c1-19(20-11-5-2-6-12-20)25-28(26)17-23(21-13-7-3-8-14-21)27-24(18-28)22-15-9-4-10-16-22/h2-19H,1H3,(H,25,26).
What are the key properties of 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine?
4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 387.42 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,6-diphenyl-N-(1-phenylethyl)-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 5069860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).