nickel(2+); 5,10,15-triphenyl-20-[(E)-2-phenylethenyl]porphyrin-21,24-diide

Systemtic Name: nickel(2+); 5,10,15-triphenyl-20-[(E)-2-phenylethenyl]porphyrin-21,24-diide Openeye Name: nickelous 5,10,15-triphenyl-20-[(E)-styryl]porphyrin-21,24-diide CAS Name: nickel(2+); 5,10,15-triphenyl-20-[(E)-2-phenylethenyl]porphyrin-21,24-diide IUPAC Name: nickel(2+); 5,10,15-triphenyl-20-[(E)-2-phenylethenyl]porphyrin-21,24-diide Traditional Name: nickelous 5,10,15-triphenyl-20-[(E)-styryl]porphine-21,24-diide Formula: C46H30N4Ni MolecularWeight: 697.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Ni+2]

Isomeric SMILES

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

InChI

InChI=1S/C46H30N4.Ni/c1-5-13-31(14-6-1)21-22-35-36-23-25-38(47-36)44(32-15-7-2-8-16-32)40-27-29-42(49-40)46(34-19-11-4-12-20-34)43-30-28-41(50-43)45(33-17-9-3-10-18-33)39-26-24-37(35)48-39;/h1-30H;/q-2;+2/b22-21+,36-35?,37-35?,44-38?,44-40?,45-39?,45-41?,46-42?,46-43?;