nickel(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,12-dicarbaldehyde

Systemtic Name: nickel(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,12-dicarbaldehyde Openeye Name: nickelous 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,12-dicarbaldehyde CAS Name: nickel(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,12-dicarboxaldehyde IUPAC Name: nickel(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide-2,12-dicarbaldehyde Traditional Name: nickelous 5,10,15,20-tetraphenylporphine-22,24-diide-2,12-dicarbaldehyde Formula: C46H28N4NiO2 MolecularWeight: 727.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C(=CC2=N6)C=O)C7=CC=CC=C7)C8=CC=CC=C8)C=C4C=O)C9=CC=CC=C9)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C(=CC2=N6)C=O)C7=CC=CC=C7)C8=CC=CC=C8)C=C4C=O)C9=CC=CC=C9)[N-]3.[Ni+2]

InChI

InChI=1S/C46H29N4O2.Ni/c51-27-33-25-39-41(29-13-5-1-6-14-29)35-21-23-37(47-35)43(31-17-9-3-10-18-31)46-34(28-52)26-40(50-46)42(30-15-7-2-8-16-30)36-22-24-38(48-36)44(45(33)49-39)32-19-11-4-12-20-32;/h1-28H,(H-,47,48,49,50,51,52);/q-1;+2/p-1