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

C24H21N2O2P — CID 4270821

IUPAC4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1
InChIInChI=1S/C24H21N2O2P/c1-19(20-11-5-2-6-12-20)25-26-29(27)17-23(21-13-7-3-8-14-21)28-24(18-29)22-15-9-4-10-16-22/h2-18H,1H3,(H,26,27)
InChIKeyUYPBUYCFNLBKIE-UHFFFAOYSA-N
MW400.42 g/mol
LogP6.31
Rot. Bonds5

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

4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine (PubChem CID 4270821) has the molecular formula C24H21N2O2P and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound Name4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine
PubChem CID4270821
Molecular FormulaC24H21N2O2P
Molecular Weight400.42 g/mol
Exact Mass400.13
IUPAC Name4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1
InChIInChI=1S/C24H21N2O2P/c1-19(20-11-5-2-6-12-20)25-26-29(27)17-23(21-13-7-3-8-14-21)28-24(18-29)22-15-9-4-10-16-22/h2-18H,1H3,(H,26,27)
InChIKeyUYPBUYCFNLBKIE-UHFFFAOYSA-N
XLogP6.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.42
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325853
4-oxo-2,6-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 2325856
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900410
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5669294
4-oxo-2,6-diphenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 5669297
4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 6900413
4-oxo-2,6-diphenyl-N-[(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 2325854
N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5034786
4-oxo-2,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 9655592
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 9667719
N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine
CID 2309136
1-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-2-[(Z)-4-phenylbut-2-en-2-yl]hydrazine
CID 2325931

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine (CID 4270821) is 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine is CC(=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1.
What is the InChIKey of 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is UYPBUYCFNLBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2O2P/c1-19(20-11-5-2-6-12-20)25-26-29(27)17-23(21-13-7-3-8-14-21)28-24(18-29)22-15-9-4-10-16-22/h2-18H,1H3,(H,26,27).
What are the key properties of 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine?
4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 400.42 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 4270821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).