zinc [4-[4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phenyl]methanol

Systemtic Name: zinc [4-[4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phenyl]methanol Openeye Name: zinc [4-[4-[10,15,20-tris(p-tolyl)porphyrin-22,24-diid-5-yl]phenyl]phenyl]methanol CAS Name: zinc [4-[4-[10,15,20-tris(4-methylphenyl)-5-porphyrin-22,24-diidyl]phenyl]phenyl]methanol IUPAC Name: zinc [4-[4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]phenyl]methanol Traditional Name: zinc [4-[4-[10,15,20-tris(p-tolyl)porphine-22,24-diid-5-yl]phenyl]phenyl]methanol Formula: C54H40N4OZn MolecularWeight: 826.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C1=CC=C(C=C1)CO)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C1=CC=C(C=C1)CO)[N-]3.[Zn+2]

InChI

InChI=1S/C54H40N4O.Zn/c1-33-4-12-39(13-5-33)51-43-24-26-45(55-43)52(40-14-6-34(2)7-15-40)47-28-30-49(57-47)54(42-22-20-38(21-23-42)37-18-10-36(32-59)11-19-37)50-31-29-48(58-50)53(46-27-25-44(51)56-46)41-16-8-35(3)9-17-41;/h4-31,59H,32H2,1-3H3;/q-2;+2