iron(4+); 2H-pyridin-1-ide; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; azide

Systemtic Name: iron(4+); 2H-pyridin-1-ide; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; azide Openeye Name: iron(4+); 2H-pyridin-1-ide; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; azide CAS Name: iron(4+); 2H-pyridin-1-ide; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; azide IUPAC Name: iron(4+); 2H-pyridin-1-ide; 5,10,15,20-tetracyclohexylporphyrin-22,24-diide; azide Traditional Name: iron(4+); 2H-pyridin-1-ide; 5,10,15,20-tetracyclohexylporphine-22,24-diide; azide Formula: C49H58FeN8 MolecularWeight: 814.88342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCCCC7)C8CCCCC8)C=C4)C9CCCCC9)[N-]3.C1C=CC=C[N-]1.[N-]=[N+]=[N-].[Fe+4]

Isomeric SMILES

C1CCC(CC1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCCCC7)C8CCCCC8)C=C4)C9CCCCC9)[N-]3.C1C=CC=C[N-]1.[N-]=[N+]=[N-].[Fe+4]

InChI

InChI=1S/C44H52N4.C5H6N.Fe.N3/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2-4-6-5-3-1;;1-3-2/h21-32H,1-20H2;1-4H,5H2;;/q-2;-1;+4;-1