zinc 2-ethynyl-5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 2-ethynyl-5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diide Openeye Name: zinc 2-ethynyl-5,10,15,20-tetrakis(p-tolyl)porphyrin-23,24-diide CAS Name: zinc 2-ethynyl-5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 2-ethynyl-5,10,15,20-tetrakis(4-methylphenyl)porphyrin-23,24-diide Traditional Name: zinc 2-ethynyl-5,10,15,20-tetrakis(p-tolyl)porphine-23,24-diide Formula: C50H36N4Zn MolecularWeight: 758.25664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H36N4.Zn/c1-6-34-29-45-48(37-19-11-32(4)12-20-37)43-26-25-41(52-43)46(35-15-7-30(2)8-16-35)39-23-24-40(51-39)47(36-17-9-31(3)10-18-36)42-27-28-44(53-42)49(50(34)54-45)38-21-13-33(5)14-22-38;/h1,7-29H,2-5H3;/q-2;+2