bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine

C28H34Cu2N2O2 — CID 158112797

IUPACbis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine
SMILESCC(C)(C)c1ccc(C(C)(C)C)c([O-])c1[O-].Cc1cccc(C)c1/N=C/c1ccccn1.[Cu+].[Cu+]
InChIInChI=1S/C14H14N2.C14H22O2.2Cu/c1-11-6-5-7-12(2)14(11)16-10-13-8-3-4-9-15-13;1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15;;/h3-10H,1-2H3;7-8,15-16H,1-6H3;;/q;;2*+1/p-2/b16-10+;;;
InChIKeyFQQIUNDDZFOORK-BCSAYTTPSA-L
MW557.68 g/mol
LogP5.87
Rot. Bonds2

About bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine

bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine (PubChem CID 158112797) has the molecular formula C28H34Cu2N2O2 and a molecular weight of 557.68 g/mol. Its IUPAC name is bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Namebis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine
PubChem CID158112797
Molecular FormulaC28H34Cu2N2O2
Molecular Weight557.68 g/mol
Exact Mass556.12
IUPAC Namebis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine
SMILESCC(C)(C)c1ccc(C(C)(C)C)c([O-])c1[O-].Cc1cccc(C)c1/N=C/c1ccccn1.[Cu+].[Cu+]
InChIInChI=1S/C14H14N2.C14H22O2.2Cu/c1-11-6-5-7-12(2)14(11)16-10-13-8-3-4-9-15-13;1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15;;/h3-10H,1-2H3;7-8,15-16H,1-6H3;;/q;;2*+1/p-2/b16-10+;;;
InChIKeyFQQIUNDDZFOORK-BCSAYTTPSA-L
XLogP5.87
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.68
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-ditert-butylbenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 158275751
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560
bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
CID 71492034
3,6-ditert-butyl-4-methoxybenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 161207320
N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate
CID 161039085
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
CID 101430447
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
N-[4-[3-[3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methyl-5-nitrophenyl]-2,6-dimethylphenyl]-1-pyridin-2-ylmethanimine;nickel;tetrabromide
CID 173107184
N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 141131461

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine (CID 158112797) is bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine is CC(C)(C)c1ccc(C(C)(C)C)c([O-])c1[O-].Cc1cccc(C)c1/N=C/c1ccccn1.[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine?
The InChIKey is FQQIUNDDZFOORK-BCSAYTTPSA-L. The full InChI is InChI=1S/C14H14N2.C14H22O2.2Cu/c1-11-6-5-7-12(2)14(11)16-10-13-8-3-4-9-15-13;1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15;;/h3-10H,1-2H3;7-8,15-16H,1-6H3;;/q;;2*+1/p-2/b16-10+;;;.
What are the key properties of bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine?
bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine has a molecular weight of 557.68 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 158112797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).