zinc 5-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-21,22-diide CAS Name: zinc 5-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5-(2-butyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-10,15,20-tris(3,5-ditert-butylphenyl)porphine-21,22-diide Formula: C73H84N6Zn MolecularWeight: 1110.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1)C=CN=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C6)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)C=C5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)[N-]4.[Zn+2]

Isomeric SMILES

CCCCC1=C(C2=C(N1)C=CN=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C6)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)C=C5)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)[N-]4.[Zn+2]

InChI

InChI=1S/C73H84N6.Zn/c1-20-21-22-54-66(52-42-74-32-31-53(52)75-54)67-61-29-27-59(78-61)64(44-35-48(70(8,9)10)40-49(36-44)71(11,12)13)57-25-23-55(76-57)63(43-33-46(68(2,3)4)39-47(34-43)69(5,6)7)56-24-26-58(77-56)65(60-28-30-62(67)79-60)45-37-50(72(14,15)16)41-51(38-45)73(17,18)19;/h23-42,75H,20-22H2,1-19H3;/q-2;+2