About dicopper;bis(indium(3+));pentaselenite
dicopper;bis(indium(3+));pentaselenite (PubChem CID 173052086) has the molecular formula Cu2In2O15Se5
and a molecular weight of 991.51 g/mol. Its IUPAC name is dicopper;bis(indium(3+));pentaselenite.
Molecular Properties
| Compound Name | dicopper;bis(indium(3+));pentaselenite |
|---|
| PubChem CID | 173052086 |
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| Molecular Formula | Cu2In2O15Se5 |
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| Molecular Weight | 991.51 g/mol |
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| Exact Mass | 995.17 |
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| IUPAC Name | dicopper;bis(indium(3+));pentaselenite |
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| SMILES | O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Cu+2].[In+3].[In+3] |
|---|
| InChI | InChI=1S/2Cu.2In.5H2O3Se/c;;;;5*1-4(2)3/h;;;;5*(H2,1,2,3)/q2*+2;2*+3;;;;;/p-10 |
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| InChIKey | NNHHSISNALPXII-UHFFFAOYSA-D |
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| XLogP | -15.15 |
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| TPSA | 315.95 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | |
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| Heavy Atoms | 24 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 991.51 |
| LogP ≤ 5 | -15.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dicopper;bis(indium(3+));pentaselenite?
The IUPAC name of dicopper;bis(indium(3+));pentaselenite (CID 173052086) is dicopper;bis(indium(3+));pentaselenite.
What is the SMILES notation for dicopper;bis(indium(3+));pentaselenite?
The canonical SMILES for dicopper;bis(indium(3+));pentaselenite is O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Cu+2].[In+3].[In+3].
What is the InChIKey of dicopper;bis(indium(3+));pentaselenite?
The InChIKey is NNHHSISNALPXII-UHFFFAOYSA-D. The full InChI is InChI=1S/2Cu.2In.5H2O3Se/c;;;;5*1-4(2)3/h;;;;5*(H2,1,2,3)/q2*+2;2*+3;;;;;/p-10.
What are the key properties of dicopper;bis(indium(3+));pentaselenite?
dicopper;bis(indium(3+));pentaselenite has a molecular weight of 991.51 g/mol, XLogP of -15.15, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(indium(3+));pentaselenite is sourced from PubChem (CID 173052086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).