N-(1,1-dipyridin-2-ylethyl)-1,1-dipyridin-2-yl-ethanamine; iron(2+); tetranitrate; hydrate

Systemtic Name: N-(1,1-dipyridin-2-ylethyl)-1,1-dipyridin-2-yl-ethanamine; iron(2+); tetranitrate; hydrate Openeye Name: diferrous N-[1,1-bis(2-pyridyl)ethyl]-1,1-bis(2-pyridyl)ethanamine tetranitrate hydrate CAS Name: N-[1,1-bis(2-pyridinyl)ethyl]-1,1-bis(2-pyridinyl)ethanamine; iron(2+); tetranitrate; hydrate IUPAC Name: N-(1,1-dipyridin-2-ylethyl)-1,1-dipyridin-2-ylethanamine; iron(2+); tetranitrate; hydrate Traditional Name: diferrous bis[1,1-bis(2-pyridyl)ethyl]amine tetranitrate hydrate Formula: C48H48Fe2N14O13 MolecularWeight: 1140.67072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)(C2=CC=CC=N2)NC(C)(C3=CC=CC=N3)C4=CC=CC=N4.CC(C1=CC=CC=N1)(C2=CC=CC=N2)NC(C)(C3=CC=CC=N3)C4=CC=CC=N4.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Fe+2].[Fe+2]

Isomeric SMILES

CC(C1=CC=CC=N1)(C2=CC=CC=N2)NC(C)(C3=CC=CC=N3)C4=CC=CC=N4.CC(C1=CC=CC=N1)(C2=CC=CC=N2)NC(C)(C3=CC=CC=N3)C4=CC=CC=N4.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Fe+2].[Fe+2]

InChI

InChI=1S/2C24H23N5.2Fe.4NO3.H2O/c2*1-23(19-11-3-7-15-25-19,20-12-4-8-16-26-20)29-24(2,21-13-5-9-17-27-21)22-14-6-10-18-28-22;;;4*2-1(3)4;/h2*3-18,29H,1-2H3;;;;;;;1H2/q;;2*+2;4*-1;