About tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)
tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) (PubChem CID 139133549) has the molecular formula C46H36Cl4Co3N18
and a molecular weight of 1159.53 g/mol. Its IUPAC name is tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide).
Molecular Properties
| Compound Name | tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) |
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| PubChem CID | 139133549 |
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| Molecular Formula | C46H36Cl4Co3N18 |
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| Molecular Weight | 1159.53 g/mol |
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| Exact Mass | 1157.01 |
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| IUPAC Name | tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) |
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| SMILES | ClCCl.ClCCl.N#CN=C=[N-].N#CN=C=[N-].[Co+2].[Co+2].[Co+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1 |
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| InChI | InChI=1S/4C10H8N3.2C2N3.2CH2Cl2.3Co/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*3-1-5-2-4;2*2-1-3;;;/h4*1-8H;;;2*1H2;;;/q6*-1;;;3*+2 |
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| InChIKey | CFUMMNQXBSFJBC-UHFFFAOYSA-N |
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| XLogP | 14.51 |
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| TPSA | 276.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 71 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1159.53 |
| LogP ≤ 5 | 14.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
The IUPAC name of tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) (CID 139133549) is tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide).
What is the SMILES notation for tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
The canonical SMILES for tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) is ClCCl.ClCCl.N#CN=C=[N-].N#CN=C=[N-].[Co+2].[Co+2].[Co+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
The InChIKey is CFUMMNQXBSFJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N3.2C2N3.2CH2Cl2.3Co/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*3-1-5-2-4;2*2-1-3;;;/h4*1-8H;;;2*1H2;;;/q6*-1;;;3*+2.
What are the key properties of tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)?
tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) has a molecular weight of 1159.53 g/mol, XLogP of 14.51, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide) is sourced from PubChem (CID 139133549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).