octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate

C60H66Cl2Cu8N8O28 — CID 139159160

IUPACoctacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/8C6H6NO.6C2H4O2.2ClHO4.8Cu/c8*8-5-6-3-1-2-4-7-6;6*1-2(3)4;2*2-1(3,4)5;;;;;;;;/h8*1-4H,5H2;6*1H3,(H,3,4);2*(H,2,3,4,5);;;;;;;;/q8*-1;;;;;;;;;8*+2/p-8
InChIKeyGFUVRULREXEZQM-UHFFFAOYSA-F
MW1926.49 g/mol
LogP-17.46
Rot. Bonds8

About octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate

octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate (PubChem CID 139159160) has the molecular formula C60H66Cl2Cu8N8O28 and a molecular weight of 1926.49 g/mol. Its IUPAC name is octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate.

Molecular Properties

Compound Nameoctacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate
PubChem CID139159160
Molecular FormulaC60H66Cl2Cu8N8O28
Molecular Weight1926.49 g/mol
Exact Mass1919.77
IUPAC Nameoctacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/8C6H6NO.6C2H4O2.2ClHO4.8Cu/c8*8-5-6-3-1-2-4-7-6;6*1-2(3)4;2*2-1(3,4)5;;;;;;;;/h8*1-4H,5H2;6*1H3,(H,3,4);2*(H,2,3,4,5);;;;;;;;/q8*-1;;;;;;;;;8*+2/p-8
InChIKeyGFUVRULREXEZQM-UHFFFAOYSA-F
XLogP-17.46
TPSA712.86 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001926.49
LogP ≤ 5-17.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(di-2-pyridylmethanediol-N,N')iron(III) nitrate dihydrate
CID 139065552
(5) Ti(Opy)2(Obut)2
CID 139128835
Heptakis(2,2-dimethylpropanoate);manganese(2+);hexakis(manganese(3+));tris(oxygen(2-));tetrakis(2-pyridin-2-ylpropan-2-olate);trihydroxide
CID 139131571
Tetrakis(dipyridin-2-ylmethanediolate);bis(manganese(2+));hexakis(manganese(3+));bis(methoxy(dipyridin-2-yl)methanolate);bis(oxygen(2-));propanoate
CID 139131613
Bis(manganese(2+));bis(manganese(3+));oxolane;bis(oxygen(2-));bis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine);tetraacetate;diperchlorate
CID 139132985
Octacopper;tetrakis(dipyridin-2-ylmethanediolate);tetrakis(pyridin-2-ol);tetraacetate;tetraperchlorate;tetrahydrate
CID 139134227
pentacopper;(1R,2R)-1,2-diethoxy-1,2-dipyridin-2-ylethane-1,2-diolate;(1S,2S)-1,2-diethoxy-1,2-dipyridin-2-ylethane-1,2-diolate;ethanol;tetraacetate;dihydroxide
CID 139134241
Bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]acetate);manganese;bis(oxygen(2-));diperchlorate;dihydrate
CID 139135604
Hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride
CID 139150637
Bis(2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate);bis(cobalt(3+));tetraperchlorate;hydrate
CID 139157069
Heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate
CID 139165368

Frequently Asked Questions

What is the IUPAC name of octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate?
The IUPAC name of octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate (CID 139159160) is octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate.
What is the SMILES notation for octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate?
The canonical SMILES for octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate?
The InChIKey is GFUVRULREXEZQM-UHFFFAOYSA-F. The full InChI is InChI=1S/8C6H6NO.6C2H4O2.2ClHO4.8Cu/c8*8-5-6-3-1-2-4-7-6;6*1-2(3)4;2*2-1(3,4)5;;;;;;;;/h8*1-4H,5H2;6*1H3,(H,3,4);2*(H,2,3,4,5);;;;;;;;/q8*-1;;;;;;;;;8*+2/p-8.
What are the key properties of octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate?
octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate has a molecular weight of 1926.49 g/mol, XLogP of -17.46, 8 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate is sourced from PubChem (CID 139159160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).