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

Systemtic Name: 5,10,15,20-tetrakis(1-prop-2-enylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-allylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-prop-2-enyl-2-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-prop-2-enylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-allylpyridin-1-ium-2-yl)-21,22-dihydroporphine Formula: C52H46N8+4 MolecularWeight: 782.97524

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Descriptors Computed from Structure

Canonical SMILES:

C=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=C)C8=CC=CC=[N+]8CC=C)C9=CC=CC=[N+]9CC=C)N3

Isomeric SMILES

C=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=C)C8=CC=CC=[N+]8CC=C)C9=CC=CC=[N+]9CC=C)N3

InChI

InChI=1S/C52H45N8/c1-5-29-57-33-13-9-17-45(57)49-37-21-23-39(53-37)50(46-18-10-14-34-58(46)30-6-2)41-25-27-43(55-41)52(48-20-12-16-36-60(48)32-8-4)44-28-26-42(56-44)51(40-24-22-38(49)54-40)47-19-11-15-35-59(47)31-7-3/h5-28,33-36H,1-4,29-32H2,(H,53,54,55,56)/q+3/p+1