zinc [10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-phenyl-diazene

Systemtic Name: zinc [10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-phenyl-diazene Openeye Name: zinc [10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-phenyl-diazene CAS Name: zinc [10,20-bis(3,5-ditert-butylphenyl)-5-porphyrin-22,24-diidyl]-phenyldiazene IUPAC Name: zinc [10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-phenyldiazene Traditional Name: zinc [10,20-bis(3,5-ditert-butylphenyl)porphine-22,24-diid-5-yl]-phenyl-diazene Formula: C54H56N6Zn MolecularWeight: 854.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)N=NC7=CC=CC=C7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)[N-]3)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)N=NC7=CC=CC=C7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C54H56N6.Zn/c1-51(2,3)35-26-33(27-36(30-35)52(4,5)6)48-42-20-18-40(55-42)32-41-19-21-43(56-41)49(34-28-37(53(7,8)9)31-38(29-34)54(10,11)12)45-23-25-47(58-45)50(46-24-22-44(48)57-46)60-59-39-16-14-13-15-17-39;/h13-32H,1-12H3;/q-2;+2