2-cyclopenta-2,4-dien-1-yl-6-pyridin-2-yl-pyridine; 1,5-di(cyclopenta-2,4-dien-1-yl)pentane-1,5-dione; iron

Systemtic Name: 2-cyclopenta-2,4-dien-1-yl-6-pyridin-2-yl-pyridine; 1,5-di(cyclopenta-2,4-dien-1-yl)pentane-1,5-dione; iron Openeye Name: 2-cyclopenta-2,4-dien-1-yl-6-(2-pyridyl)pyridine; 1,5-di(cyclopenta-2,4-dien-1-yl)pentane-1,5-dione; iron CAS Name: 1,5-bis(1-cyclopenta-2,4-dienyl)pentane-1,5-dione; 2-(1-cyclopenta-2,4-dienyl)-6-(2-pyridinyl)pyridine; iron IUPAC Name: 2-cyclopenta-2,4-dien-1-yl-6-pyridin-2-ylpyridine; 1,5-di(cyclopenta-2,4-dien-1-yl)pentane-1,5-dione; iron Traditional Name: 2-cyclopenta-2,4-dien-1-yl-6-(2-pyridyl)pyridine; 1,5-di(cyclopenta-2,4-dien-1-yl)pentane-1,5-dione; iron Formula: C45H36Fe2N4O2-4 MolecularWeight: 776.48294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=CC(=N2)[C-]3C=CC=C3.C1=CC=NC(=C1)C2=CC=CC(=N2)[C-]3C=CC=C3.C1=C[C-](C=C1)C(=O)CCCC(=O)[C-]2C=CC=C2.[Fe].[Fe]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=CC(=N2)[C-]3C=CC=C3.C1=CC=NC(=C1)C2=CC=CC(=N2)[C-]3C=CC=C3.C1=C[C-](C=C1)C(=O)CCCC(=O)[C-]2C=CC=C2.[Fe].[Fe]

InChI

InChI=1S/2C15H11N2.C15H14O2.2Fe/c2*1-2-7-12(6-1)13-9-5-10-15(17-13)14-8-3-4-11-16-14;16-14(12-6-1-2-7-12)10-5-11-15(17)13-8-3-4-9-13;;/h2*1-11H;1-4,6-9H,5,10-11H2;;/q2*-1;-2;;