About tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)
tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) (PubChem CID 146012615) has the molecular formula C42H45CoF18N12O12S6
and a molecular weight of 1503.19 g/mol. Its IUPAC name is tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+).
Molecular Properties
| Compound Name | tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) |
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| PubChem CID | 146012615 |
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| Molecular Formula | C42H45CoF18N12O12S6 |
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| Molecular Weight | 1503.19 g/mol |
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| Exact Mass | 1502.06 |
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| IUPAC Name | tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) |
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| SMILES | CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+3] |
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| InChI | InChI=1S/3C12H15N3.3C2F6NO4S2.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*4-9H,1-3H3;;;;/q;;;3*-1;+3 |
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| InChIKey | CLFSUXDTZJJJOK-UHFFFAOYSA-N |
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| XLogP | 10.87 |
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| TPSA | 339.27 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 21 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 91 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1503.19 |
| LogP ≤ 5 | 10.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
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Frequently Asked Questions
What is the IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
The IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) (CID 146012615) is tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+).
What is the SMILES notation for tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
The canonical SMILES for tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) is CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+3].
What is the InChIKey of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
The InChIKey is CLFSUXDTZJJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N3.3C2F6NO4S2.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*4-9H,1-3H3;;;;/q;;;3*-1;+3.
What are the key properties of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) has a molecular weight of 1503.19 g/mol, XLogP of 10.87, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) is sourced from PubChem (CID 146012615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).