iron(3+); 2,4,6-tripyridin-2-yl-1,3,5-triazine

Systemtic Name: iron(3+); 2,4,6-tripyridin-2-yl-1,3,5-triazine Openeye Name: ferric 2,4,6-tris(2-pyridyl)-1,3,5-triazine CAS Name: iron(3+); 2,4,6-tris(2-pyridinyl)-1,3,5-triazine IUPAC Name: iron(3+); 2,4,6-tripyridin-2-yl-1,3,5-triazine Traditional Name: ferric 2,4,6-tris(2-pyridyl)-s-triazine Formula: C54H36FeN18+3 MolecularWeight: 992.82924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.[Fe+3]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.[Fe+3]

InChI

InChI=1S/3C18H12N6.Fe/c3*1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15;/h3*1-12H;/q;;;+3