5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-ethyl-2-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-2-yl)-21,22-dihydroporphine Formula: C48H46N8+4 MolecularWeight: 734.93244

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7CC)C8=CC=CC=[N+]8CC)C9=CC=CC=[N+]9CC)N3

Isomeric SMILES

CC[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7CC)C8=CC=CC=[N+]8CC)C9=CC=CC=[N+]9CC)N3

InChI

InChI=1S/C48H45N8/c1-5-53-29-13-9-17-41(53)45-33-21-23-35(49-33)46(42-18-10-14-30-54(42)6-2)37-25-27-39(51-37)48(44-20-12-16-32-56(44)8-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)43-19-11-15-31-55(43)7-3/h9-32H,5-8H2,1-4H3,(H,49,50,51,52)/q+3/p+1