tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)

C30H21CoF18N12O12S6 — CID 154728151

IUPACtris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)
SMILESO=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].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;;/q;;;3*-1;+3
InChIKeyILXRZLQXWLMDFQ-UHFFFAOYSA-N
MW1334.87 g/mol
LogP6.98
Rot. Bonds9

About tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)

tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) (PubChem CID 154728151) has the molecular formula C30H21CoF18N12O12S6 and a molecular weight of 1334.87 g/mol. Its IUPAC name is tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine).

Molecular Properties

Compound Nametris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)
PubChem CID154728151
Molecular FormulaC30H21CoF18N12O12S6
Molecular Weight1334.87 g/mol
Exact Mass1333.88
IUPAC Nametris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)
SMILESO=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].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;;/q;;;3*-1;+3
InChIKeyILXRZLQXWLMDFQ-UHFFFAOYSA-N
XLogP6.98
TPSA339.27 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.87
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Frequently Asked Questions

What is the IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
The IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) (CID 154728151) is tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine).
What is the SMILES notation for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
The canonical SMILES for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) is 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].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.
What is the InChIKey of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
The InChIKey is ILXRZLQXWLMDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;;/q;;;3*-1;+3.
What are the key properties of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) has a molecular weight of 1334.87 g/mol, XLogP of 6.98, 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);cobalt(3+);tris(2-pyrazol-1-ylpyridine) is sourced from PubChem (CID 154728151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).