N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine

C29H22NO2P — CID 2309136

IUPACN-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine
SMILESO=P1(N=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C29H22NO2P/c31-33(30-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26)21-27(23-13-5-1-6-14-23)32-28(22-33)24-15-7-2-8-16-24/h1-22H
InChIKeyPAVIJMZOGJQURT-UHFFFAOYSA-N
MW447.47 g/mol
LogP7.83
Rot. Bonds5

About N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine

N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine (PubChem CID 2309136) has the molecular formula C29H22NO2P and a molecular weight of 447.47 g/mol. Its IUPAC name is N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine
PubChem CID2309136
Molecular FormulaC29H22NO2P
Molecular Weight447.47 g/mol
Exact Mass447.14
IUPAC NameN-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine
SMILESO=P1(N=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C29H22NO2P/c31-33(30-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26)21-27(23-13-5-1-6-14-23)32-28(22-33)24-15-7-2-8-16-24/h1-22H
InChIKeyPAVIJMZOGJQURT-UHFFFAOYSA-N
XLogP7.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.47
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-diphenylphosphoryl-2,6-diphenyl-4H-pyran
CID 2751489
[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
CID 134935737
(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine
CID 146166672
4-Methyl-2,6-bis(4-phenylphenyl)-1,4lambda5-oxaphosphinine 4-oxide
CID 164684424
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
bis(2,6-diphenyl-4H-pyran-4-ylidene)hydrazine
CID 91745797
2-diphenylphosphoryl-4,6-diphenyl-2H-pyran
CID 2751491
N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 4016338
N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 4210844
4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 4301256
N-(butan-2-ylideneamino)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 4369690

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine (CID 2309136) is N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine is O=P1(N=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine?
The InChIKey is PAVIJMZOGJQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22NO2P/c31-33(30-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26)21-27(23-13-5-1-6-14-23)32-28(22-33)24-15-7-2-8-16-24/h1-22H.
What are the key properties of N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine?
N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine has a molecular weight of 447.47 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 2309136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).