4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine

C26H25N2O2P — CID 6900411

IUPAC4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
SMILESCC(C)c1ccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1
InChIInChI=1S/C26H25N2O2P/c1-20(2)22-15-13-21(14-16-22)17-27-28-31(29)18-25(23-9-5-3-6-10-23)30-26(19-31)24-11-7-4-8-12-24/h3-20H,1-2H3,(H,28,29)/b27-17+
InChIKeyYJWYVTARSZYTHP-WPWMEQJKSA-N
MW428.47 g/mol
LogP7.04
Rot. Bonds6

About 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine

4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine (PubChem CID 6900411) has the molecular formula C26H25N2O2P and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine.

Molecular Properties

Compound Name4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
PubChem CID6900411
Molecular FormulaC26H25N2O2P
Molecular Weight428.47 g/mol
Exact Mass428.17
IUPAC Name4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
SMILESCC(C)c1ccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1
InChIInChI=1S/C26H25N2O2P/c1-20(2)22-15-13-21(14-16-22)17-27-28-31(29)18-25(23-9-5-3-6-10-23)30-26(19-31)24-11-7-4-8-12-24/h3-20H,1-2H3,(H,28,29)/b27-17+
InChIKeyYJWYVTARSZYTHP-WPWMEQJKSA-N
XLogP7.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 57.04
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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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine?
The IUPAC name of 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine (CID 6900411) is 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine.
What is the SMILES notation for 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine?
The canonical SMILES for 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine is CC(C)c1ccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1.
What is the InChIKey of 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine?
The InChIKey is YJWYVTARSZYTHP-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H25N2O2P/c1-20(2)22-15-13-21(14-16-22)17-27-28-31(29)18-25(23-9-5-3-6-10-23)30-26(19-31)24-11-7-4-8-12-24/h3-20H,1-2H3,(H,28,29)/b27-17+.
What are the key properties of 4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine?
4-oxo-2,6-diphenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine has a molecular weight of 428.47 g/mol, XLogP of 7.04, 6 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-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine is sourced from PubChem (CID 6900411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).