N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide

C22H19NO — CID 11358902

IUPACN-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c24-23(18-20-12-6-2-7-13-20)22(21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-18,22H/b17-16+,23-18-
InChIKeyAZDMFHYVHFPBFM-AJIOFTKLSA-N
MW313.40 g/mol
LogP5.07
Rot. Bonds5

About N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide

N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide (PubChem CID 11358902) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide
PubChem CID11358902
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC NameN-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide
SMILES[O-]/[N+](=C\c1ccccc1)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO/c24-23(18-20-12-6-2-7-13-20)22(21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-18,22H/b17-16+,23-18-
InChIKeyAZDMFHYVHFPBFM-AJIOFTKLSA-N
XLogP5.07
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Hydrobenzamide
CID 9566477
N-Benzylidenebenzylamine
CID 95831
Methanediamine, 1-phenyl-N,N'-bis(phenylmethylene)-, (E,E)-
CID 66704
(Z)-benzyl(oxido)(phenylmethylidene)azanium
CID 5368368
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-
CID 424649
(1R,2S,N1Z,N2Z)-N1,N2-dibenzylidenecyclohexane-1,2-diamine dioxide
CID 1899031
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
1-phenyl-N-(1-phenylethyl)methanimine oxide
CID 5466983

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide?
The IUPAC name of N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide (CID 11358902) is N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide.
What is the SMILES notation for N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide?
The canonical SMILES for N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide is [O-]/[N+](=C\c1ccccc1)C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide?
The InChIKey is AZDMFHYVHFPBFM-AJIOFTKLSA-N. The full InChI is InChI=1S/C22H19NO/c24-23(18-20-12-6-2-7-13-20)22(21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-18,22H/b17-16+,23-18-.
What are the key properties of N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide?
N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide has a molecular weight of 313.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-diphenylprop-2-enyl]-1-phenylmethanimine oxide is sourced from PubChem (CID 11358902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).