2-ethenyl-5,10,15,20-tetraphenyl-porphyrin-23,24-diide; nickel(2+)

Systemtic Name: 2-ethenyl-5,10,15,20-tetraphenyl-porphyrin-23,24-diide; nickel(2+) Openeye Name: nickelous 5,10,15,20-tetraphenyl-2-vinyl-porphyrin-23,24-diide CAS Name: 2-ethenyl-5,10,15,20-tetraphenylporphyrin-23,24-diide; nickel(2+) IUPAC Name: 2-ethenyl-5,10,15,20-tetraphenylporphyrin-23,24-diide; nickel(2+) Traditional Name: nickelous 5,10,15,20-tetraphenyl-2-vinyl-porphine-23,24-diide Formula: C46H30N4Ni MolecularWeight: 697.4506

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.[Ni+2]

Isomeric SMILES

C=CC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.[Ni+2]

InChI

InChI=1S/C46H30N4.Ni/c1-2-30-29-41-44(33-19-11-5-12-20-33)39-26-25-37(48-39)42(31-15-7-3-8-16-31)35-23-24-36(47-35)43(32-17-9-4-10-18-32)38-27-28-40(49-38)45(46(30)50-41)34-21-13-6-14-22-34;/h2-29H,1H2;/q-2;+2