N,N-dimethylcyclopenta[b]pyridin-4-amine; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene

Systemtic Name: N,N-dimethylcyclopenta[b]pyridin-4-amine; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene Openeye Name: ferrous; N,N-dimethylcyclopenta[b]pyridin-4-amine; (2,3,4,5-tetraphenylcyclopentyl)benzene CAS Name: N,N-dimethyl-4-cyclopenta[b]pyridinamine; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene IUPAC Name: N,N-dimethylcyclopenta[b]pyridin-4-amine; iron(2+); (2,3,4,5-tetraphenylcyclopentyl)benzene Traditional Name: ferrous; dimethyl(1-pyrindin-4-yl)amine; (2,3,4,5-tetraphenylcyclopentyl)benzene Formula: C45H36FeN2+2 MolecularWeight: 660.62574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=N[C]2[C]1[CH][CH][CH]2.C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Fe+2]

Isomeric SMILES

CN(C)C1=CC=N[C]2[C]1[CH][CH][CH]2.C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Fe+2]

InChI

InChI=1S/C35H25.C10H11N2.Fe/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-12(2)10-6-7-11-9-5-3-4-8(9)10;/h1-25H;3-7H,1-2H3;/q;;+2