zinc 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-21,23-diium

Systemtic Name: zinc 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-21,23-diium Openeye Name: zinc 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-21,23-diium CAS Name: zinc 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-21,23-diium IUPAC Name: zinc 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-21,23-diium Traditional Name: zinc 5,10,15,20-tetraphenyl-21,23-dihydroporphine-21,23-diium Formula: C44H32N4Zn+4 MolecularWeight: 682.16068

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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([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[NH2+]3.[Zn+2]

InChI

InChI=1S/C44H30N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/q;+2/p+2