chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride

C32H40AuCl3N8O3 — CID 139238916

IUPACchlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride
SMILESCCO.CCO.CCO.Cl[Au].[Cl-].[Cl-].c1ccc(-n2cc[n+](-c3ccccn3)c2)nc1.c1ccc(-n2cc[n+](-c3ccccn3)c2)nc1
InChIInChI=1S/2C13H11N4.3C2H6O.Au.3ClH/c2*1-3-7-14-12(5-1)16-9-10-17(11-16)13-6-2-4-8-15-13;3*1-2-3;;;;/h2*1-11H;3*3H,2H2,1H3;;3*1H/q2*+1;;;;+1;;;/p-3
InChIKeyLKGICCXSVVKFOK-UHFFFAOYSA-K
MW888.05 g/mol
LogP-2.22
Rot. Bonds4

About chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride

chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride (PubChem CID 139238916) has the molecular formula C32H40AuCl3N8O3 and a molecular weight of 888.05 g/mol. Its IUPAC name is chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride.

Molecular Properties

Compound Namechlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride
PubChem CID139238916
Molecular FormulaC32H40AuCl3N8O3
Molecular Weight888.05 g/mol
Exact Mass886.20
IUPAC Namechlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride
SMILESCCO.CCO.CCO.Cl[Au].[Cl-].[Cl-].c1ccc(-n2cc[n+](-c3ccccn3)c2)nc1.c1ccc(-n2cc[n+](-c3ccccn3)c2)nc1
InChIInChI=1S/2C13H11N4.3C2H6O.Au.3ClH/c2*1-3-7-14-12(5-1)16-9-10-17(11-16)13-6-2-4-8-15-13;3*1-2-3;;;;/h2*1-11H;3*3H,2H2,1H3;;3*1H/q2*+1;;;;+1;;;/p-3
InChIKeyLKGICCXSVVKFOK-UHFFFAOYSA-K
XLogP-2.22
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500888.05
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride?
The IUPAC name of chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride (CID 139238916) is chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride.
What is the SMILES notation for chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride?
The canonical SMILES for chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride is CCO.CCO.CCO.Cl[Au].[Cl-].[Cl-].c1ccc(-n2cc[n+](-c3ccccn3)c2)nc1.c1ccc(-n2cc[n+](-c3ccccn3)c2)nc1.
What is the InChIKey of chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride?
The InChIKey is LKGICCXSVVKFOK-UHFFFAOYSA-K. The full InChI is InChI=1S/2C13H11N4.3C2H6O.Au.3ClH/c2*1-3-7-14-12(5-1)16-9-10-17(11-16)13-6-2-4-8-15-13;3*1-2-3;;;;/h2*1-11H;3*3H,2H2,1H3;;3*1H/q2*+1;;;;+1;;;/p-3.
What are the key properties of chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride?
chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride has a molecular weight of 888.05 g/mol, XLogP of -2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;ethanol;bis(2-(3-pyridin-2-ylimidazol-1-ium-1-yl)pyridine);dichloride is sourced from PubChem (CID 139238916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).