zinc 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diide CAS Name: zinc 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5,10,15-trimesityl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphine-21,24-diide Formula: C53H53BN4O2Zn MolecularWeight: 854.23352

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=C(C=C(C=C7C)C)C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3.[Zn+2]

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=C(C=C(C=C7C)C)C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C53H53BN4O2.Zn/c1-28-22-31(4)45(32(5)23-28)48-37-14-16-39(55-37)49(46-33(6)24-29(2)25-34(46)7)41-18-20-43(57-41)51(54-59-52(10,11)53(12,13)60-54)44-21-19-42(58-44)50(40-17-15-38(48)56-40)47-35(8)26-30(3)27-36(47)9;/h14-27H,1-13H3;/q-2;+2