zinc 5,10,15-triphenyl-20-[2-[(E)-2-pyridin-2-ylethenyl]phenyl]porphyrin-22,24-diide

Systemtic Name: zinc 5,10,15-triphenyl-20-[2-[(E)-2-pyridin-2-ylethenyl]phenyl]porphyrin-22,24-diide Openeye Name: zinc 5,10,15-triphenyl-20-[2-[(E)-2-(2-pyridyl)vinyl]phenyl]porphyrin-22,24-diide CAS Name: zinc 5,10,15-triphenyl-20-[2-[(E)-2-(2-pyridinyl)ethenyl]phenyl]porphyrin-22,24-diide IUPAC Name: zinc 5,10,15-triphenyl-20-[2-[(E)-2-pyridin-2-ylethenyl]phenyl]porphyrin-22,24-diide Traditional Name: zinc 5,10,15-triphenyl-20-[2-[(E)-2-(2-pyridyl)vinyl]phenyl]porphine-22,24-diide Formula: C51H33N5Zn MolecularWeight: 781.25022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8C=CC9=CC=CC=N9)C=C4)C1=CC=CC=C1)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8/C=C/C9=CC=CC=N9)C=C4)C1=CC=CC=C1)[N-]3.[Zn+2]

InChI

InChI=1S/C51H33N5.Zn/c1-4-15-35(16-5-1)48-40-25-27-42(53-40)49(36-17-6-2-7-18-36)44-29-31-46(55-44)51(39-22-11-10-14-34(39)23-24-38-21-12-13-33-52-38)47-32-30-45(56-47)50(37-19-8-3-9-20-37)43-28-26-41(48)54-43;/h1-33H;/q-2;+2/b24-23+,48-40?,48-41?,49-42?,49-44?,50-43?,50-45?,51-46?,51-47?;