zinc 5,15-bis(4-ethynylphenyl)-10,20-di(tridecan-7-yl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis(4-ethynylphenyl)-10,20-di(tridecan-7-yl)porphyrin-22,23-diide Openeye Name: zinc 5,15-bis(4-ethynylphenyl)-10,20-bis(1-hexylheptyl)porphyrin-22,23-diide CAS Name: zinc 5,15-bis(4-ethynylphenyl)-10,20-di(tridecan-7-yl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-bis(4-ethynylphenyl)-10,20-di(tridecan-7-yl)porphyrin-22,23-diide Traditional Name: zinc 5,15-bis(4-ethynylphenyl)-10,20-bis(1-hexylheptyl)porphine-22,23-diide Formula: C62H72N4Zn MolecularWeight: 938.67088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=C(C=C6)C#C)C=C4)C(CCCCCC)CCCCCC)C=C3)C7=CC=C(C=C7)C#C)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=C(C=C6)C#C)C=C4)C(CCCCCC)CCCCCC)C=C3)C7=CC=C(C=C7)C#C)[N-]2.[Zn+2]

InChI

InChI=1S/C62H72N4.Zn/c1-7-13-17-21-25-47(26-22-18-14-8-2)59-51-37-41-55(63-51)61(49-33-29-45(11-5)30-34-49)57-43-39-53(65-57)60(48(27-23-19-15-9-3)28-24-20-16-10-4)54-40-44-58(66-54)62(56-42-38-52(59)64-56)50-35-31-46(12-6)32-36-50;/h5-6,29-44,47-48H,7-10,13-28H2,1-4H3;/q-2;+2