About dialuminum;dicopper;pentakis(selenium(2-))
dialuminum;dicopper;pentakis(selenium(2-)) (PubChem CID 173012002) has the molecular formula Al2Cu2Se5
and a molecular weight of 575.86 g/mol. Its IUPAC name is dialuminum;dicopper;pentakis(selenium(2-)).
Molecular Properties
| Compound Name | dialuminum;dicopper;pentakis(selenium(2-)) |
|---|
| PubChem CID | 173012002 |
|---|
| Molecular Formula | Al2Cu2Se5 |
|---|
| Molecular Weight | 575.86 g/mol |
|---|
| Exact Mass | 579.40 |
|---|
| IUPAC Name | dialuminum;dicopper;pentakis(selenium(2-)) |
|---|
| SMILES | [Al+3].[Al+3].[Cu+2].[Cu+2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2] |
|---|
| InChI | InChI=1S/2Al.2Cu.5Se/q2*+3;2*+2;5*-2 |
|---|
| InChIKey | RBFNDTKXTWFLPX-UHFFFAOYSA-N |
|---|
| XLogP | -2.67 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 575.86 |
| LogP ≤ 5 | -2.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze dialuminum;dicopper;pentakis(selenium(2-)) with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of dialuminum;dicopper;pentakis(selenium(2-))?
The IUPAC name of dialuminum;dicopper;pentakis(selenium(2-)) (CID 173012002) is dialuminum;dicopper;pentakis(selenium(2-)).
What is the SMILES notation for dialuminum;dicopper;pentakis(selenium(2-))?
The canonical SMILES for dialuminum;dicopper;pentakis(selenium(2-)) is [Al+3].[Al+3].[Cu+2].[Cu+2].[Se-2].[Se-2].[Se-2].[Se-2].[Se-2].
What is the InChIKey of dialuminum;dicopper;pentakis(selenium(2-))?
The InChIKey is RBFNDTKXTWFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.2Cu.5Se/q2*+3;2*+2;5*-2.
What are the key properties of dialuminum;dicopper;pentakis(selenium(2-))?
dialuminum;dicopper;pentakis(selenium(2-)) has a molecular weight of 575.86 g/mol, XLogP of -2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;dicopper;pentakis(selenium(2-)) is sourced from PubChem (CID 173012002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).