bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)

C40H50Cl2Cu2N4O2 — CID 71492034

IUPACbis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
SMILESCC(C)(C)c1cc(/N=C/c2ccccn2)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/N=C/c2ccccn2)c([O-])c(C(C)(C)C)c1.Cl[Cu+].Cl[Cu+]
InChIInChI=1S/2C20H26N2O.2ClH.2Cu/c2*1-19(2,3)14-11-16(20(4,5)6)18(23)17(12-14)22-13-15-9-7-8-10-21-15;;;;/h2*7-13,23H,1-6H3;2*1H;;/q;;;;2*+2/p-4/b2*22-13+;;;;
InChIKeyUMSFSHZFORAHCZ-ODMAMDOBSA-J
MW816.86 g/mol
LogP10.38
Rot. Bonds4

About bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)

bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate) (PubChem CID 71492034) has the molecular formula C40H50Cl2Cu2N4O2 and a molecular weight of 816.86 g/mol. Its IUPAC name is bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate).

Molecular Properties

Compound Namebis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
PubChem CID71492034
Molecular FormulaC40H50Cl2Cu2N4O2
Molecular Weight816.86 g/mol
Exact Mass814.19
IUPAC Namebis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)
SMILESCC(C)(C)c1cc(/N=C/c2ccccn2)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/N=C/c2ccccn2)c([O-])c(C(C)(C)C)c1.Cl[Cu+].Cl[Cu+]
InChIInChI=1S/2C20H26N2O.2ClH.2Cu/c2*1-19(2,3)14-11-16(20(4,5)6)18(23)17(12-14)22-13-15-9-7-8-10-21-15;;;;/h2*7-13,23H,1-6H3;2*1H;;/q;;;;2*+2/p-4/b2*22-13+;;;;
InChIKeyUMSFSHZFORAHCZ-ODMAMDOBSA-J
XLogP10.38
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.86
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)?
The IUPAC name of bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate) (CID 71492034) is bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate).
What is the SMILES notation for bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)?
The canonical SMILES for bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate) is CC(C)(C)c1cc(/N=C/c2ccccn2)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/N=C/c2ccccn2)c([O-])c(C(C)(C)C)c1.Cl[Cu+].Cl[Cu+].
What is the InChIKey of bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)?
The InChIKey is UMSFSHZFORAHCZ-ODMAMDOBSA-J. The full InChI is InChI=1S/2C20H26N2O.2ClH.2Cu/c2*1-19(2,3)14-11-16(20(4,5)6)18(23)17(12-14)22-13-15-9-7-8-10-21-15;;;;/h2*7-13,23H,1-6H3;2*1H;;/q;;;;2*+2/p-4/b2*22-13+;;;;.
What are the key properties of bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate)?
bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate) has a molecular weight of 816.86 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chlorocopper(1+));bis(2,4-ditert-butyl-6-(pyridin-2-ylmethylideneamino)phenolate) is sourced from PubChem (CID 71492034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).