5,15-bis(4-methylphenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5,15-bis(4-methylphenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5,15-bis(4-methylphenoxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5,15-bis(4-methylphenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5,15-bis(4-methylphenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5,15-bis(4-methylphenoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C46H32N4NiO2 MolecularWeight: 731.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)OC8=CC=C(C=C8)C)C=C4)C9=CC=CC=C9)[N-]3.[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)OC8=CC=C(C=C8)C)C=C4)C9=CC=CC=C9)[N-]3.[Ni+2]

InChI

InChI=1S/C46H32N4O2.Ni/c1-29-13-17-33(18-14-29)51-45-39-25-21-35(47-39)43(31-9-5-3-6-10-31)37-23-27-41(49-37)46(52-34-19-15-30(2)16-20-34)42-28-24-38(50-42)44(32-11-7-4-8-12-32)36-22-26-40(45)48-36;/h3-28H,1-2H3;/q-2;+2