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

Systemtic Name: 5,10,15,20-tetrakis(1-ethenylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide Openeye Name: 5,10,15,20-tetrakis(1-vinylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide CAS Name: 5,10,15,20-tetrakis(1-ethenyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin tetrabromide IUPAC Name: 5,10,15,20-tetrakis(1-ethenylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetrabromide Traditional Name: 5,10,15,20-tetrakis(1-vinylpyridin-1-ium-4-yl)-21,22-dihydroporphine tetrabromide Formula: C48H38Br4N8 MolecularWeight: 1046.48492

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Descriptors Computed from Structure

Canonical SMILES:

C=C[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)C=C)C8=CC=[N+](C=C8)C=C)C9=CC=[N+](C=C9)C=C)N3.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

C=C[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)C=C)C8=CC=[N+](C=C8)C=C)C9=CC=[N+](C=C9)C=C)N3.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C48H37N8.4BrH/c1-5-53-25-17-33(18-26-53)45-37-9-11-39(49-37)46(34-19-27-54(6-2)28-20-34)41-13-15-43(51-41)48(36-23-31-56(8-4)32-24-36)44-16-14-42(52-44)47(40-12-10-38(45)50-40)35-21-29-55(7-3)30-22-35;;;;/h5-32H,1-4H2,(H,49,50,51,52);4*1H/q+3;;;;/p-3