zinc N-butyl-4-[10,15,20-tris[4-(butylamino)phenyl]porphyrin-22,23-diid-5-yl]aniline

Systemtic Name: zinc N-butyl-4-[10,15,20-tris[4-(butylamino)phenyl]porphyrin-22,23-diid-5-yl]aniline Openeye Name: zinc N-butyl-4-[10,15,20-tris[4-(butylamino)phenyl]porphyrin-22,23-diid-5-yl]aniline CAS Name: zinc N-butyl-4-[10,15,20-tris[4-(butylamino)phenyl]-5-porphyrin-22,23-diidyl]aniline IUPAC Name: zinc N-butyl-4-[10,15,20-tris[4-(butylamino)phenyl]porphyrin-22,23-diid-5-yl]aniline Traditional Name: zinc butyl-[4-[10,15,20-tris[4-(butylamino)phenyl]porphine-21,22-diid-5-yl]phenyl]amine Formula: C60H64N8Zn MolecularWeight: 962.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=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)NCCCC)C8=CC=C(C=C8)NCCCC)C9=CC=C(C=C9)NCCCC)[N-]3.[Zn+2]

Isomeric SMILES

CCCCNC1=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)NCCCC)C8=CC=C(C=C8)NCCCC)C9=CC=C(C=C9)NCCCC)[N-]3.[Zn+2]

InChI

InChI=1S/C60H64N8.Zn/c1-5-9-37-61-45-21-13-41(14-22-45)57-49-29-31-51(65-49)58(42-15-23-46(24-16-42)62-38-10-6-2)53-33-35-55(67-53)60(44-19-27-48(28-20-44)64-40-12-8-4)56-36-34-54(68-56)59(52-32-30-50(57)66-52)43-17-25-47(26-18-43)63-39-11-7-3;/h13-36,61-64H,5-12,37-40H2,1-4H3;/q-2;+2