zinc 5,10,15-triphenyl-20-[2-(pyridin-3-ylmethoxy)phenyl]porphyrin-22,24-diide

Systemtic Name: zinc 5,10,15-triphenyl-20-[2-(pyridin-3-ylmethoxy)phenyl]porphyrin-22,24-diide Openeye Name: zinc 5,10,15-triphenyl-20-[2-(3-pyridylmethoxy)phenyl]porphyrin-22,24-diide CAS Name: zinc 5,10,15-triphenyl-20-[2-(3-pyridinylmethoxy)phenyl]porphyrin-22,24-diide IUPAC Name: zinc 5,10,15-triphenyl-20-[2-(pyridin-3-ylmethoxy)phenyl]porphyrin-22,24-diide Traditional Name: zinc 5,10,15-triphenyl-20-[2-(3-pyridylmethoxy)phenyl]porphine-22,24-diide Formula: C50H33N5OZn MolecularWeight: 785.23892

Click to see the large picture

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=C8OCC9=CN=CC=C9)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=C8OCC9=CN=CC=C9)C=C4)C1=CC=CC=C1)[N-]3.[Zn+2]

InChI

InChI=1S/C50H33N5O.Zn/c1-4-14-34(15-5-1)47-38-22-24-40(52-38)48(35-16-6-2-7-17-35)42-26-28-44(54-42)50(37-20-10-11-21-46(37)56-32-33-13-12-30-51-31-33)45-29-27-43(55-45)49(36-18-8-3-9-19-36)41-25-23-39(47)53-41;/h1-31H,32H2;/q-2;+2