4-pyridin-2-yl-2-[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]pyrimidine; ruthenium(2+); tetraperchlorate; dihydrate

Systemtic Name: 4-pyridin-2-yl-2-[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]pyrimidine; ruthenium(2+); tetraperchlorate; dihydrate Openeye Name: 4-(2-pyridyl)-2-[6-[6-(2-pyridyl)-2-pyridyl]-2-pyridyl]pyrimidine; ruthenium(2+); tetraperchlorate; dihydrate CAS Name: 4-(2-pyridinyl)-2-[6-[6-(2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrimidine; ruthenium(2+); tetraperchlorate; dihydrate IUPAC Name: 4-pyridin-2-yl-2-[6-(6-pyridin-2-ylpyridin-2-yl)pyridin-2-yl]pyrimidine; ruthenium(2+); tetraperchlorate; dihydrate Traditional Name: 4-(2-pyridyl)-2-[6-[6-(2-pyridyl)-2-pyridyl]-2-pyridyl]pyrimidine; ruthenium(2+); tetraperchlorate; dihydrate Formula: C48H36Cl4N12O18Ru2 MolecularWeight: 1412.82104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NC(=CC=C3)C4=NC=CC(=N4)C5=CC=CC=N5.C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NC(=CC=C3)C4=NC=CC(=N4)C5=CC=CC=N5.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ru+2].[Ru+2]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NC(=CC=C3)C4=NC=CC(=N4)C5=CC=CC=N5.C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NC(=CC=C3)C4=NC=CC(=N4)C5=CC=CC=N5.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ru+2].[Ru+2]

InChI

InChI=1S/2C24H16N6.4ClHO4.2H2O.2Ru/c2*1-3-14-25-17(7-1)19-9-5-10-20(28-19)21-11-6-12-23(29-21)24-27-16-13-22(30-24)18-8-2-4-15-26-18;4*2-1(3,4)5;;;;/h2*1-16H;4*(H,2,3,4,5);2*1H2;;/q;;;;;;;;2*+2/p-4