2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide

C18H11IrN6 — CID 58672256

IUPAC2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.3CN.Ir/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;3*1-2;/h1-11H;;;;/q;3*-1;+3
InChIKeyKQVKUZBBDPVIHI-UHFFFAOYSA-N
MW503.55 g/mol
LogP3.49
Rot. Bonds2

About 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide

2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide (PubChem CID 58672256) has the molecular formula C18H11IrN6 and a molecular weight of 503.55 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
PubChem CID58672256
Molecular FormulaC18H11IrN6
Molecular Weight503.55 g/mol
Exact Mass504.07
IUPAC Name2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.3CN.Ir/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;3*1-2;/h1-11H;;;;/q;3*-1;+3
InChIKeyKQVKUZBBDPVIHI-UHFFFAOYSA-N
XLogP3.49
TPSA110.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide
CID 10961401
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole
CID 59514881
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide (CID 58672256) is 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide is [C-]#N.[C-]#N.[C-]#N.[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide?
The InChIKey is KQVKUZBBDPVIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.3CN.Ir/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;3*1-2;/h1-11H;;;;/q;3*-1;+3.
What are the key properties of 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide?
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide has a molecular weight of 503.55 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide is sourced from PubChem (CID 58672256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).