[2,6-di(propan-2-yl)phenyl]-[5-[2,6-di(propan-2-yl)phenyl]azanidyl-2,2,6,6-tetramethyl-heptan-3-yl]azanide; iron(3+); phenylazanide

Systemtic Name: [2,6-di(propan-2-yl)phenyl]-[5-[2,6-di(propan-2-yl)phenyl]azanidyl-2,2,6,6-tetramethyl-heptan-3-yl]azanide; iron(3+); phenylazanide Openeye Name: ferric; [1-tert-butyl-3-(2,6-diisopropylphenyl)azanidyl-4,4-dimethyl-pentyl]-(2,6-diisopropylphenyl)azanide; phenylazanide CAS Name: [2,6-di(propan-2-yl)phenyl]-[5-[2,6-di(propan-2-yl)phenyl]azanidyl-2,2,6,6-tetramethylheptan-3-yl]azanide; iron(3+); phenylazanide IUPAC Name: [2,6-di(propan-2-yl)phenyl]-[5-[2,6-di(propan-2-yl)phenyl]azanidyl-2,2,6,6-tetramethylheptan-3-yl]azanide; iron(3+); phenylazanide Traditional Name: ferric; [1-tert-butyl-3-(2,6-diisopropylphenyl)azanidyl-4,4-dimethyl-pentyl]-(2,6-diisopropylphenyl)azanide; phenylazanide Formula: C41H62FeN3 MolecularWeight: 652.79608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C(CC(C(C)(C)C)[N-]C2=C(C=CC=C2C(C)C)C(C)C)C(C)(C)C.C1=CC=C(C=C1)[NH-].[Fe+3]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C(CC(C(C)(C)C)[N-]C2=C(C=CC=C2C(C)C)C(C)C)C(C)(C)C.C1=CC=C(C=C1)[NH-].[Fe+3]

InChI

InChI=1S/C35H56N2.C6H6N.Fe/c1-22(2)26-17-15-18-27(23(3)4)32(26)36-30(34(9,10)11)21-31(35(12,13)14)37-33-28(24(5)6)19-16-20-29(33)25(7)8;7-6-4-2-1-3-5-6;/h15-20,22-25,30-31H,21H2,1-14H3;1-5,7H;/q-2;-1;+3