About sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate (PubChem CID 139178820) has the molecular formula C36H30CoMo8N6NaO29-48
and a molecular weight of 1860.09 g/mol. Its IUPAC name is sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate.
Molecular Properties
| Compound Name | sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate |
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| PubChem CID | 139178820 |
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| Molecular Formula | C36H30CoMo8N6NaO29-48 |
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| Molecular Weight | 1860.09 g/mol |
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| Exact Mass | 1875.30 |
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| IUPAC Name | sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate |
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| SMILES | O.O.O.[Co+3].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Na+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
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| InChI | InChI=1S/3C12H8N2.Co.8Mo.Na.3H2O.26O/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-8H;;;;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;+3;;;;;;;;;+1;;;;26*-2 |
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| InChIKey | PSXWWCYGWHDPOF-UHFFFAOYSA-N |
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| XLogP | -0.23 |
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| TPSA | 912.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | |
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| Heavy Atoms | 81 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 1860.09 |
| LogP ≤ 5 | -0.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate?
The IUPAC name of sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate (CID 139178820) is sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate.
What is the SMILES notation for sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate?
The canonical SMILES for sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate is O.O.O.[Co+3].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Na+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate?
The InChIKey is PSXWWCYGWHDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8N2.Co.8Mo.Na.3H2O.26O/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-8H;;;;;;;;;;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;+3;;;;;;;;;+1;;;;26*-2.
What are the key properties of sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate?
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate has a molecular weight of 1860.09 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate is sourced from PubChem (CID 139178820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).