bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)

C34H24CoF12N8O8S4 — CID 170898766

IUPACbis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-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.[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2C2F6NO4S2.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyICQVKYCFJSVQTE-UHFFFAOYSA-N
MW1087.79 g/mol
LogP8.55
Rot. Bonds7

About bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)

bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine) (PubChem CID 170898766) has the molecular formula C34H24CoF12N8O8S4 and a molecular weight of 1087.79 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)
PubChem CID170898766
Molecular FormulaC34H24CoF12N8O8S4
Molecular Weight1087.79 g/mol
Exact Mass1086.97
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-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.[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2C2F6NO4S2.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-8H;;;/q;;;2*-1;+2
InChIKeyICQVKYCFJSVQTE-UHFFFAOYSA-N
XLogP8.55
TPSA242.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.79
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine) (CID 170898766) is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-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.[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)?
The InChIKey is ICQVKYCFJSVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.2C2F6NO4S2.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-8H;;;/q;;;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine)?
bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine) has a molecular weight of 1087.79 g/mol, XLogP of 8.55, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 170898766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).