N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine

C28H23NO — CID 45378873

IUPACN-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine
SMILESC(=C/C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H23NO/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24)30-29-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,27H/b22-21+
InChIKeyFDQDRZWUVSVOKT-QURGRASLSA-N
MW389.50 g/mol
LogP6.91
Rot. Bonds7

About N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine

N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine (PubChem CID 45378873) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine
PubChem CID45378873
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC NameN-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine
SMILESC(=C/C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H23NO/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24)30-29-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,27H/b22-21+
InChIKeyFDQDRZWUVSVOKT-QURGRASLSA-N
XLogP6.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine
CID 45378867
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
CID 175349156
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
[(E)-1,3-diphenylprop-2-enyl] 4-tert-butylbenzoate
CID 101260855
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
(1-oxo-1,4-diphenylbut-3-en-2-yl) nitrite
CID 174665689
3-phenylprop-2-ene-1,1-diol
CID 54432533
N-ethenoxy-1,1-diphenylmethanimine
CID 12982594
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
2-[[(E,1R)-1,3-diphenylprop-2-enoxy]methyl]thiophene
CID 102292544

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine (CID 45378873) is N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine is C(=C/C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine?
The InChIKey is FDQDRZWUVSVOKT-QURGRASLSA-N. The full InChI is InChI=1S/C28H23NO/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24)30-29-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,27H/b22-21+.
What are the key properties of N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine?
N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine has a molecular weight of 389.50 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 45378873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).