4-(10,20-diphenylporphyrin-21,22-diid-5-yl)morpholine; nickel(2+)

Systemtic Name: 4-(10,20-diphenylporphyrin-21,22-diid-5-yl)morpholine; nickel(2+) Openeye Name: nickelous 4-(10,20-diphenylporphyrin-21,22-diid-5-yl)morpholine CAS Name: 4-(10,20-diphenyl-5-porphyrin-21,22-diidyl)morpholine; nickel(2+) IUPAC Name: 4-(10,20-diphenylporphyrin-21,22-diid-5-yl)morpholine; nickel(2+) Traditional Name: nickelous 4-(10,20-diphenylporphine-21,22-diid-5-yl)morpholine Formula: C36H27N5NiO MolecularWeight: 604.32588

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

Isomeric SMILES

C1COCCN1C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

InChI

InChI=1S/C36H27N5O.Ni/c1-3-7-24(8-4-1)34-28-13-11-26(37-28)23-27-12-14-29(38-27)35(25-9-5-2-6-10-25)31-16-18-33(40-31)36(32-17-15-30(34)39-32)41-19-21-42-22-20-41;/h1-18,23H,19-22H2;/q-2;+2