5,10,15,20-tetrakis(1-hexylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-hexylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-hexylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-hexyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-hexylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-hexylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C64H78N8+4 MolecularWeight: 959.35772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCCCCC)C8=CC=[N+](C=C8)CCCCCC)C9=CC=[N+](C=C9)CCCCCC)N3

Isomeric SMILES

CCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCCCCC)C8=CC=[N+](C=C8)CCCCCC)C9=CC=[N+](C=C9)CCCCCC)N3

InChI

InChI=1S/C64H77N8/c1-5-9-13-17-37-69-41-29-49(30-42-69)61-53-21-23-55(65-53)62(50-31-43-70(44-32-50)38-18-14-10-6-2)57-25-27-59(67-57)64(52-35-47-72(48-36-52)40-20-16-12-8-4)60-28-26-58(68-60)63(56-24-22-54(61)66-56)51-33-45-71(46-34-51)39-19-15-11-7-3/h21-36,41-48H,5-20,37-40H2,1-4H3,(H,65,66,67,68)/q+3/p+1