iron(2+); 4-pyrrolidin-1-ylcyclopenta[b]pyridine; (2,3,4,5-tetraphenylcyclopentyl)benzene

Systemtic Name: iron(2+); 4-pyrrolidin-1-ylcyclopenta[b]pyridine; (2,3,4,5-tetraphenylcyclopentyl)benzene Openeye Name: ferrous; 4-pyrrolidin-1-ylcyclopenta[b]pyridine; (2,3,4,5-tetraphenylcyclopentyl)benzene CAS Name: iron(2+); 4-(1-pyrrolidinyl)cyclopenta[b]pyridine; (2,3,4,5-tetraphenylcyclopentyl)benzene IUPAC Name: iron(2+); 4-pyrrolidin-1-ylcyclopenta[b]pyridine; (2,3,4,5-tetraphenylcyclopentyl)benzene Traditional Name: ferrous; 4-pyrrolidino-1-pyrindine; (2,3,4,5-tetraphenylcyclopentyl)benzene Formula: C47H38FeN2+2 MolecularWeight: 686.66302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=N[C]3[C]2[CH][CH][CH]3.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

C1CCN(C1)C2=CC=N[C]3[C]2[CH][CH][CH]3.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.C12H13N2.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;1-2-9-14(8-1)12-6-7-13-11-5-3-4-10(11)12;/h1-25H;3-7H,1-2,8-9H2;/q;;+2