nickel(2+); 10,15,20-triphenylporphyrin-23,24-diid-5-amine

Systemtic Name: nickel(2+); 10,15,20-triphenylporphyrin-23,24-diid-5-amine Openeye Name: nickelous 10,15,20-triphenylporphyrin-23,24-diid-5-amine CAS Name: nickel(2+); 10,15,20-triphenyl-5-porphyrin-23,24-diidamine IUPAC Name: nickel(2+); 10,15,20-triphenylporphyrin-23,24-diid-5-amine Traditional Name: nickelous (10,15,20-triphenylporphine-23,24-diid-5-yl)amine Formula: C38H25N5Ni MolecularWeight: 610.332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H25N5.Ni/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32;/h1-23H,39H2;/q-2;+2