nickel(2+); 5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diid-2-amine

Systemtic Name: nickel(2+); 5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diid-2-amine Openeye Name: nickelous 5,10,15,20-tetrakis(p-tolyl)porphyrin-23,24-diid-2-amine CAS Name: nickel(2+); 5,10,15,20-tetrakis(4-methylphenyl)-2-porphyrin-23,24-diidamine IUPAC Name: nickel(2+); 5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diid-2-amine Traditional Name: nickelous [5,10,15,20-tetrakis(p-tolyl)porphine-23,24-diid-2-yl]amine Formula: C48H37N5Ni MolecularWeight: 742.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)N)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Ni+2]

Isomeric SMILES

CC1=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)N)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)[N-]3.[Ni+2]

InChI

InChI=1S/C48H37N5.Ni/c1-28-5-13-32(14-6-28)44-37-21-22-38(50-37)45(33-15-7-29(2)8-16-33)40-25-26-42(52-40)47(35-19-11-31(4)12-20-35)48-36(49)27-43(53-48)46(41-24-23-39(44)51-41)34-17-9-30(3)10-18-34;/h5-27H,49H2,1-4H3;/q-2;+2