nickel(2+); 5,10,15,20-tetrakis(4-propan-2-ylphenyl)porphyrin-22,23-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetrakis(4-propan-2-ylphenyl)porphyrin-22,23-diide Openeye Name: nickelous 5,10,15,20-tetrakis(4-isopropylphenyl)porphyrin-22,23-diide CAS Name: nickel(2+); 5,10,15,20-tetrakis(4-propan-2-ylphenyl)porphyrin-22,23-diide IUPAC Name: nickel(2+); 5,10,15,20-tetrakis(4-propan-2-ylphenyl)porphyrin-22,23-diide Traditional Name: nickelous 5,10,15,20-tetrakis(p-cumenyl)porphine-22,23-diide Formula: C56H52N4Ni MolecularWeight: 839.73228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(C)C)C8=CC=C(C=C8)C(C)C)C9=CC=C(C=C9)C(C)C)[N-]3.[Ni+2]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(C)C)C8=CC=C(C=C8)C(C)C)C9=CC=C(C=C9)C(C)C)[N-]3.[Ni+2]

InChI

InChI=1S/C56H52N4.Ni/c1-33(2)37-9-17-41(18-10-37)53-45-25-27-47(57-45)54(42-19-11-38(12-20-42)34(3)4)49-29-31-51(59-49)56(44-23-15-40(16-24-44)36(7)8)52-32-30-50(60-52)55(48-28-26-46(53)58-48)43-21-13-39(14-22-43)35(5)6;/h9-36H,1-8H3;/q-2;+2