ethane-1,2-diamine; palladium(2+); 2,4,6-tripyridin-4-yl-1,3,5-triazine; dodecanitrate

Systemtic Name: ethane-1,2-diamine; palladium(2+); 2,4,6-tripyridin-4-yl-1,3,5-triazine; dodecanitrate Openeye Name: ethane-1,2-diamine; palladium(2+); 2,4,6-tris(4-pyridyl)-1,3,5-triazine; dodecanitrate CAS Name: ethane-1,2-diamine; palladium(2+); 2,4,6-tripyridin-4-yl-1,3,5-triazine; dodecanitrate IUPAC Name: ethane-1,2-diamine; palladium(2+); 2,4,6-tripyridin-4-yl-1,3,5-triazine; dodecanitrate Traditional Name: 2-aminoethylamine; palladium(2+); 2,4,6-tris(4-pyridyl)-s-triazine; dodecanitrate Formula: C84H96N48O36Pd6 MolecularWeight: 2992.48104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]

Isomeric SMILES

C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.C(CN)N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]

InChI

InChI=1S/4C18H12N6.6C2H8N2.12NO3.6Pd/c4*1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15;6*3-1-2-4;12*2-1(3)4;;;;;;/h4*1-12H;6*1-4H2;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;12*-1;6*+2