3,4-diphenyl-N,N-bis(pyridin-2-ylmethyl)cyclopentan-1-amine; iron(2+)

Systemtic Name: 3,4-diphenyl-N,N-bis(pyridin-2-ylmethyl)cyclopentan-1-amine; iron(2+) Openeye Name: ferrous 3,4-diphenyl-N,N-bis(2-pyridylmethyl)cyclopentanamine CAS Name: 3,4-diphenyl-N,N-bis(2-pyridinylmethyl)-1-cyclopentanamine; iron(2+) IUPAC Name: 3,4-diphenyl-N,N-bis(pyridin-2-ylmethyl)cyclopentan-1-amine; iron(2+) Traditional Name: ferrous (3,4-diphenylcyclopentyl)-bis(2-pyridylmethyl)amine Formula: C58H48FeN6+2 MolecularWeight: 884.88692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[C]2[CH][C]([CH][C]2C3=CC=CC=C3)N(CC4=CC=CC=N4)CC5=CC=CC=N5.C1=CC=C(C=C1)[C]2[CH][C]([CH][C]2C3=CC=CC=C3)N(CC4=CC=CC=N4)CC5=CC=CC=N5.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)[C]2[CH][C]([CH][C]2C3=CC=CC=C3)N(CC4=CC=CC=N4)CC5=CC=CC=N5.C1=CC=C(C=C1)[C]2[CH][C]([CH][C]2C3=CC=CC=C3)N(CC4=CC=CC=N4)CC5=CC=CC=N5.[Fe+2]

InChI

InChI=1S/2C29H24N3.Fe/c2*1-3-11-23(12-4-1)28-19-27(20-29(28)24-13-5-2-6-14-24)32(21-25-15-7-9-17-30-25)22-26-16-8-10-18-31-26;/h2*1-20H,21-22H2;/q;;+2