5,15-dinaphthalen-1-yloxy-10,20-diphenyl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 5,15-dinaphthalen-1-yloxy-10,20-diphenyl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 5,15-bis(1-naphthyloxy)-10,20-diphenyl-porphyrin-22,23-diide CAS Name: 5,15-bis(1-naphthalenyloxy)-10,20-diphenylporphyrin-22,23-diide; nickel(2+) IUPAC Name: 5,15-dinaphthalen-1-yloxy-10,20-diphenylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 5,15-bis(1-naphthoxy)-10,20-diphenyl-porphine-22,23-diide Formula: C52H32N4NiO2 MolecularWeight: 803.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)OC7=CC=CC8=CC=CC=C87)C=C5)C9=CC=CC=C9)C=C4)OC1=CC=CC2=CC=CC=C21)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)OC7=CC=CC8=CC=CC=C87)C=C5)C9=CC=CC=C9)C=C4)OC1=CC=CC2=CC=CC=C21)[N-]3.[Ni+2]

InChI

InChI=1S/C52H32N4O2.Ni/c1-3-15-35(16-4-1)49-39-25-29-43(53-39)51(57-47-23-11-19-33-13-7-9-21-37(33)47)45-31-27-41(55-45)50(36-17-5-2-6-18-36)42-28-32-46(56-42)52(44-30-26-40(49)54-44)58-48-24-12-20-34-14-8-10-22-38(34)48;/h1-32H;/q-2;+2