N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine

C28H24N2O — CID 126673384

IUPACN,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine
SMILESc1ccc(COc2ccc(N3/C(=N/c4ccccc4)CC3c3ccccc3)cc2)cc1
InChIInChI=1S/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-25(17-19-26)30-27(23-12-6-2-7-13-23)20-28(30)29-24-14-8-3-9-15-24/h1-19,27H,20-21H2/b29-28+
InChIKeyAGDBXXATLBNCFN-ZQHSETAFSA-N
MW404.51 g/mol
LogP6.95
Rot. Bonds6

About N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine

N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine (PubChem CID 126673384) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine.

Molecular Properties

Compound NameN,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine
PubChem CID126673384
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC NameN,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine
SMILESc1ccc(COc2ccc(N3/C(=N/c4ccccc4)CC3c3ccccc3)cc2)cc1
InChIInChI=1S/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-25(17-19-26)30-27(23-12-6-2-7-13-23)20-28(30)29-24-14-8-3-9-15-24/h1-19,27H,20-21H2/b29-28+
InChIKeyAGDBXXATLBNCFN-ZQHSETAFSA-N
XLogP6.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine?
The IUPAC name of N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine (CID 126673384) is N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine.
What is the SMILES notation for N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine?
The canonical SMILES for N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine is c1ccc(COc2ccc(N3/C(=N/c4ccccc4)CC3c3ccccc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine?
The InChIKey is AGDBXXATLBNCFN-ZQHSETAFSA-N. The full InChI is InChI=1S/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-25(17-19-26)30-27(23-12-6-2-7-13-23)20-28(30)29-24-14-8-3-9-15-24/h1-19,27H,20-21H2/b29-28+.
What are the key properties of N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine?
N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine has a molecular weight of 404.51 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine is sourced from PubChem (CID 126673384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).