cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)

C18H15CsN12Ni — CID 139133882

IUPACcesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)
SMILES[Cs+].[Ni+2].c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1
InChIInChI=1S/3C6H5N4.Cs.Ni/c3*1-2-8-5(7-1)6-9-3-4-10-6;;/h3*1-4H,(H-,7,8,9,10);;/q3*-1;+1;+2
InChIKeyYYWJVKPXTOWKLQ-UHFFFAOYSA-N
MW591.00 g/mol
LogP-1.71
Rot. Bonds3

About cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)

cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+) (PubChem CID 139133882) has the molecular formula C18H15CsN12Ni and a molecular weight of 591.00 g/mol. Its IUPAC name is cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+).

Molecular Properties

Compound Namecesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)
PubChem CID139133882
Molecular FormulaC18H15CsN12Ni
Molecular Weight591.00 g/mol
Exact Mass590.00
IUPAC Namecesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)
SMILES[Cs+].[Ni+2].c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1
InChIInChI=1S/3C6H5N4.Cs.Ni/c3*1-2-8-5(7-1)6-9-3-4-10-6;;/h3*1-4H,(H-,7,8,9,10);;/q3*-1;+1;+2
InChIKeyYYWJVKPXTOWKLQ-UHFFFAOYSA-N
XLogP-1.71
TPSA167.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.00
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)?
The IUPAC name of cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+) (CID 139133882) is cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+).
What is the SMILES notation for cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)?
The canonical SMILES for cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+) is [Cs+].[Ni+2].c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.c1c[n-]c(-c2ncc[nH]2)n1.
What is the InChIKey of cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)?
The InChIKey is YYWJVKPXTOWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5N4.Cs.Ni/c3*1-2-8-5(7-1)6-9-3-4-10-6;;/h3*1-4H,(H-,7,8,9,10);;/q3*-1;+1;+2.
What are the key properties of cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+)?
cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+) has a molecular weight of 591.00 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;tris(2-(1H-imidazol-2-yl)imidazol-3-ide);nickel(2+) is sourced from PubChem (CID 139133882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).