N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine

C36H26N8O — CID 4616068

IUPACN-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1ccc(Oc2ccc(/N=C/c3ccccn3)c(/N=C/c3ccccn3)c2)cc1/N=C/c1ccccn1)\c1ccccn1
InChIInChI=1S/C36H26N8O/c1-5-17-37-27(9-1)23-41-33-15-13-31(21-35(33)43-25-29-11-3-7-19-39-29)45-32-14-16-34(42-24-28-10-2-6-18-38-28)36(22-32)44-26-30-12-4-8-20-40-30/h1-26H/b41-23+,42-24+,43-25+,44-26+
InChIKeyKWUOPGLRKXZQAR-IVWNNZSSSA-N
MW586.66 g/mol
LogP8.06
Rot. Bonds10

About N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine

N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 4616068) has the molecular formula C36H26N8O and a molecular weight of 586.66 g/mol. Its IUPAC name is N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
PubChem CID4616068
Molecular FormulaC36H26N8O
Molecular Weight586.66 g/mol
Exact Mass586.22
IUPAC NameN-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
SMILESC(=N/c1ccc(Oc2ccc(/N=C/c3ccccn3)c(/N=C/c3ccccn3)c2)cc1/N=C/c1ccccn1)\c1ccccn1
InChIInChI=1S/C36H26N8O/c1-5-17-37-27(9-1)23-41-33-15-13-31(21-35(33)43-25-29-11-3-7-19-39-29)45-32-14-16-34(42-24-28-10-2-6-18-38-28)36(22-32)44-26-30-12-4-8-20-40-30/h1-26H/b41-23+,42-24+,43-25+,44-26+
InChIKeyKWUOPGLRKXZQAR-IVWNNZSSSA-N
XLogP8.06
TPSA110.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.66
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-phenoxy-1-pyridin-2-ylmethanimine
CID 54492053
methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate
CID 136896258
bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
CID 71492034
3,6-ditert-butylbenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 158275751
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
CID 23850129
N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68746503

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine (CID 4616068) is N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine is C(=N/c1ccc(Oc2ccc(/N=C/c3ccccn3)c(/N=C/c3ccccn3)c2)cc1/N=C/c1ccccn1)\c1ccccn1.
What is the InChIKey of N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is KWUOPGLRKXZQAR-IVWNNZSSSA-N. The full InChI is InChI=1S/C36H26N8O/c1-5-17-37-27(9-1)23-41-33-15-13-31(21-35(33)43-25-29-11-3-7-19-39-29)45-32-14-16-34(42-24-28-10-2-6-18-38-28)36(22-32)44-26-30-12-4-8-20-40-30/h1-26H/b41-23+,42-24+,43-25+,44-26+.
What are the key properties of N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine?
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 586.66 g/mol, XLogP of 8.06, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 4616068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).