tris(2-pyridin-2-ylimidazol-1-yl)gallane

C24H18GaN9 — CID 59470370

IUPACtris(2-pyridin-2-ylimidazol-1-yl)gallane
SMILESc1ccc(-c2nccn2[Ga](n2ccnc2-c2ccccn2)n2ccnc2-c2ccccn2)nc1
InChIInChI=1S/3C8H6N3.Ga/c3*1-2-4-9-7(3-1)8-10-5-6-11-8;/h3*1-6H;/q3*-1;+3
InChIKeyZKOBVAAMFYRNRM-UHFFFAOYSA-N
MW502.19 g/mol
LogP3.39
Rot. Bonds6

About tris(2-pyridin-2-ylimidazol-1-yl)gallane

tris(2-pyridin-2-ylimidazol-1-yl)gallane (PubChem CID 59470370) has the molecular formula C24H18GaN9 and a molecular weight of 502.19 g/mol. Its IUPAC name is tris(2-pyridin-2-ylimidazol-1-yl)gallane.

Molecular Properties

Compound Nametris(2-pyridin-2-ylimidazol-1-yl)gallane
PubChem CID59470370
Molecular FormulaC24H18GaN9
Molecular Weight502.19 g/mol
Exact Mass501.09
IUPAC Nametris(2-pyridin-2-ylimidazol-1-yl)gallane
SMILESc1ccc(-c2nccn2[Ga](n2ccnc2-c2ccccn2)n2ccnc2-c2ccccn2)nc1
InChIInChI=1S/3C8H6N3.Ga/c3*1-2-4-9-7(3-1)8-10-5-6-11-8;/h3*1-6H;/q3*-1;+3
InChIKeyZKOBVAAMFYRNRM-UHFFFAOYSA-N
XLogP3.39
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
dichloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine)
CID 23534671
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
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
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
pyrrolo[3,2-b]azepine
CID 66934182

Frequently Asked Questions

What is the IUPAC name of tris(2-pyridin-2-ylimidazol-1-yl)gallane?
The IUPAC name of tris(2-pyridin-2-ylimidazol-1-yl)gallane (CID 59470370) is tris(2-pyridin-2-ylimidazol-1-yl)gallane.
What is the SMILES notation for tris(2-pyridin-2-ylimidazol-1-yl)gallane?
The canonical SMILES for tris(2-pyridin-2-ylimidazol-1-yl)gallane is c1ccc(-c2nccn2[Ga](n2ccnc2-c2ccccn2)n2ccnc2-c2ccccn2)nc1.
What is the InChIKey of tris(2-pyridin-2-ylimidazol-1-yl)gallane?
The InChIKey is ZKOBVAAMFYRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6N3.Ga/c3*1-2-4-9-7(3-1)8-10-5-6-11-8;/h3*1-6H;/q3*-1;+3.
What are the key properties of tris(2-pyridin-2-ylimidazol-1-yl)gallane?
tris(2-pyridin-2-ylimidazol-1-yl)gallane has a molecular weight of 502.19 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyridin-2-ylimidazol-1-yl)gallane is sourced from PubChem (CID 59470370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).