zinc 5-(2,6-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5-(2,6-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5-(2,6-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5-(2,6-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 5-(2,6-diethynylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5-(2,6-diethynylphenyl)-10,15,20-trimesityl-porphine-23,24-diide Formula: C57H46N4Zn MolecularWeight: 852.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7C#C)C#C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7C#C)C#C)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C57H46N4.Zn/c1-12-40-15-14-16-41(13-2)53(40)57-48-23-21-46(60-48)55(51-36(8)27-32(4)28-37(51)9)44-19-17-42(58-44)54(50-34(6)25-31(3)26-35(50)7)43-18-20-45(59-43)56(47-22-24-49(57)61-47)52-38(10)29-33(5)30-39(52)11;/h1-2,14-30H,3-11H3;/q-2;+2