nickel;tris(2-pyridin-2-ylpyridine)

C30H24N6Ni — CID 76737267

IUPACnickel;tris(2-pyridin-2-ylpyridine)
SMILES[Ni].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;
InChIKeyZHLFKZTZRXTSIT-UHFFFAOYSA-N
MW527.26 g/mol
LogP6.43
Rot. Bonds3

About nickel;tris(2-pyridin-2-ylpyridine)

nickel;tris(2-pyridin-2-ylpyridine) (PubChem CID 76737267) has the molecular formula C30H24N6Ni and a molecular weight of 527.26 g/mol. Its IUPAC name is nickel;tris(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namenickel;tris(2-pyridin-2-ylpyridine)
PubChem CID76737267
Molecular FormulaC30H24N6Ni
Molecular Weight527.26 g/mol
Exact Mass526.14
IUPAC Namenickel;tris(2-pyridin-2-ylpyridine)
SMILES[Ni].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;
InChIKeyZHLFKZTZRXTSIT-UHFFFAOYSA-N
XLogP6.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.26
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258
propane;2-pyridin-2-ylpyridine
CID 158168510

Frequently Asked Questions

What is the IUPAC name of nickel;tris(2-pyridin-2-ylpyridine)?
The IUPAC name of nickel;tris(2-pyridin-2-ylpyridine) (CID 76737267) is nickel;tris(2-pyridin-2-ylpyridine).
What is the SMILES notation for nickel;tris(2-pyridin-2-ylpyridine)?
The canonical SMILES for nickel;tris(2-pyridin-2-ylpyridine) is [Ni].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of nickel;tris(2-pyridin-2-ylpyridine)?
The InChIKey is ZHLFKZTZRXTSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8N2.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;.
What are the key properties of nickel;tris(2-pyridin-2-ylpyridine)?
nickel;tris(2-pyridin-2-ylpyridine) has a molecular weight of 527.26 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tris(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 76737267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).