5,10,20-tripyridin-4-yl-15-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin bromide

Systemtic Name: 5,10,20-tripyridin-4-yl-15-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin bromide Openeye Name: 5,10,20-tris(4-pyridyl)-15-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin bromide CAS Name: 5,10,20-tripyridin-4-yl-15-(1-tetradecyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin bromide IUPAC Name: 5,10,20-tripyridin-4-yl-15-(1-tetradecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin bromide Traditional Name: 15-(1-myristylpyridin-1-ium-4-yl)-5,10,20-tris(4-pyridyl)-21,22-dihydroporphine bromide Formula: C54H55BrN8 MolecularWeight: 895.9721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)N4)C9=CC=NC=C9.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)N4)C9=CC=NC=C9.[Br-]

InChI

InChI=1S/C54H54N8.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-36-62-37-28-42(29-38-62)54-49-20-18-47(60-49)52(40-24-32-56-33-25-40)45-16-14-43(58-45)51(39-22-30-55-31-23-39)44-15-17-46(59-44)53(41-26-34-57-35-27-41)48-19-21-50(54)61-48;/h14-35,37-38H,2-13,36H2,1H3,(H,58,59,60,61);1H