dizinc 10-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexyl-porphyrin-22,23-diide

Systemtic Name: dizinc 10-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexyl-porphyrin-22,23-diide Openeye Name: dizinc 10-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexyl-porphyrin-22,23-diide CAS Name: dizinc 10-(10,20-dihexyl-5-porphyrin-21,22-diidyl)-5,15-dihexylporphyrin-22,23-diide IUPAC Name: dizinc 10-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexylporphyrin-22,23-diide Traditional Name: dizinc 10-(10,20-dihexylporphine-21,22-diid-5-yl)-5,15-dihexyl-porphine-22,23-diide Formula: C64H70N8Zn2 MolecularWeight: 1082.1122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C=C5C=CC1=N5)CCCCCC)C6=C7C=CC(=C(C8=NC(=CC9=NC(=C(C1=CC=C6[N-]1)CCCCCC)C=C9)C=C8)CCCCCC)[N-]7)[N-]2.[Zn+2].[Zn+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C=C5C=CC1=N5)CCCCCC)C6=C7C=CC(=C(C8=NC(=CC9=NC(=C(C1=CC=C6[N-]1)CCCCCC)C=C9)C=C8)CCCCCC)[N-]7)[N-]2.[Zn+2].[Zn+2]

InChI

InChI=1S/C64H70N8.2Zn/c1-5-9-13-17-21-47-51-29-25-43(65-51)41-44-26-30-52(66-44)48(22-18-14-10-6-2)56-34-38-60(70-56)63(59-37-33-55(47)69-59)64-61-39-35-57(71-61)49(23-19-15-11-7-3)53-31-27-45(67-53)42-46-28-32-54(68-46)50(24-20-16-12-8-4)58-36-40-62(64)72-58;;/h25-42H,5-24H2,1-4H3;;/q-4;2*+2