ethanenitrile; iron(2+); 2-pyridin-2-ylpyridine; tetraphenylboranuide

Systemtic Name: ethanenitrile; iron(2+); 2-pyridin-2-ylpyridine; tetraphenylboranuide Openeye Name: ferrous; acetonitrile; 2-(2-pyridyl)pyridine; tetraphenylboranuide CAS Name: acetonitrile; iron(2+); 2-(2-pyridinyl)pyridine; tetraphenylboranuide IUPAC Name: acetonitrile; iron(2+); 2-pyridin-2-ylpyridine; tetraphenylboranuide Traditional Name: ferrous; acetonitrile; 2-(2-pyridyl)pyridine; tetraphenylboranuide Formula: C72H62B2FeN6 MolecularWeight: 1088.76988

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#N.CC#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Fe+2]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC#N.CC#N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Fe+2]

InChI

InChI=1S/2C24H20B.2C10H8N2.2C2H3N.Fe/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;/h2*1-20H;2*1-8H;2*1H3;/q2*-1;;;;;+2