iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 2-phenyl-5-(5-phenylpyrrol-2-yl)pyrrole

Systemtic Name: iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 2-phenyl-5-(5-phenylpyrrol-2-yl)pyrrole Openeye Name: diferrous; 1,2,3,4,5-pentamethylcyclopentane; 2-phenyl-5-(5-phenylpyrrol-2-yl)pyrrole CAS Name: iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 2-phenyl-5-(5-phenyl-2-pyrrolyl)pyrrole IUPAC Name: iron(2+); 1,2,3,4,5-pentamethylcyclopentane; 2-phenyl-5-(5-phenylpyrrol-2-yl)pyrrole Traditional Name: diferrous; 1,2,3,4,5-pentamethylcyclopentane; 2-phenyl-5-(5-phenylpyrrol-2-yl)pyrrole Formula: C40H44Fe2N2+4 MolecularWeight: 664.48076

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)[C]2[CH][CH][C]([N]2)[C]3[CH][CH][C]([N]3)C4=CC=CC=C4.[Fe+2].[Fe+2]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.C1=CC=C(C=C1)[C]2[CH][CH][C]([N]2)[C]3[CH][CH][C]([N]3)C4=CC=CC=C4.[Fe+2].[Fe+2]

InChI

InChI=1S/C20H14N2.2C10H15.2Fe/c1-3-7-15(8-4-1)17-11-13-19(21-17)20-14-12-18(22-20)16-9-5-2-6-10-16;2*1-6-7(2)9(4)10(5)8(6)3;;/h1-14H;2*1-5H3;;/q;;;2*+2