zinc 5,15-bis(3,5-diethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis(3,5-diethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide Openeye Name: zinc 5,15-bis(3,5-diethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide CAS Name: zinc 5,15-bis(3,5-diethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-bis(3,5-diethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diide Traditional Name: zinc 5,15-bis(3,5-diethynylphenyl)-10,20-dimesityl-porphine-22,23-diide Formula: C58H40N4Zn MolecularWeight: 858.374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)C#C)C#C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC(=CC(=C9)C#C)C#C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)C#C)C#C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC(=CC(=C9)C#C)C#C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C58H40N4.Zn/c1-11-39-27-40(12-2)30-43(29-39)55-45-15-19-49(59-45)57(53-35(7)23-33(5)24-36(53)8)51-21-17-47(61-51)56(44-31-41(13-3)28-42(14-4)32-44)48-18-22-52(62-48)58(50-20-16-46(55)60-50)54-37(9)25-34(6)26-38(54)10;/h1-4,15-32H,5-10H3;/q-2;+2