4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine

C24H18F3N2O2P — CID 6900413

IUPAC4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine
SMILESO=P1(N/N=C/c2ccccc2C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C24H18F3N2O2P/c25-24(26,27)21-14-8-7-13-20(21)15-28-29-32(30)16-22(18-9-3-1-4-10-18)31-23(17-32)19-11-5-2-6-12-19/h1-17H,(H,29,30)/b28-15+
InChIKeyFVWVYRDHFMCYIT-RWPZCVJISA-N
MW454.39 g/mol
LogP6.93
Rot. Bonds5

About 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine

4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine (PubChem CID 6900413) has the molecular formula C24H18F3N2O2P and a molecular weight of 454.39 g/mol. Its IUPAC name is 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound Name4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine
PubChem CID6900413
Molecular FormulaC24H18F3N2O2P
Molecular Weight454.39 g/mol
Exact Mass454.11
IUPAC Name4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine
SMILESO=P1(N/N=C/c2ccccc2C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C24H18F3N2O2P/c25-24(26,27)21-14-8-7-13-20(21)15-28-29-32(30)16-22(18-9-3-1-4-10-18)31-23(17-32)19-11-5-2-6-12-19/h1-17H,(H,29,30)/b28-15+
InChIKeyFVWVYRDHFMCYIT-RWPZCVJISA-N
XLogP6.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.39
LogP ≤ 56.93
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-[[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325857
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
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 5669298
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 6900414
4-oxo-2,6-diphenyl-N-[(4-propan-2-ylphenyl)methylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 2325854
4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 4270821
4-oxo-2,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 9655592
4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 4301256

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine (CID 6900413) is 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine is O=P1(N/N=C/c2ccccc2C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is FVWVYRDHFMCYIT-RWPZCVJISA-N. The full InChI is InChI=1S/C24H18F3N2O2P/c25-24(26,27)21-14-8-7-13-20(21)15-28-29-32(30)16-22(18-9-3-1-4-10-18)31-23(17-32)19-11-5-2-6-12-19/h1-17H,(H,29,30)/b28-15+.
What are the key properties of 4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine?
4-oxo-2,6-diphenyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 454.39 g/mol, XLogP of 6.93, 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-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 6900413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).