1-hexadecyl-2-[6-(1-hexadecylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; neodymium(3+); trichloride

Systemtic Name: 1-hexadecyl-2-[6-(1-hexadecylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; neodymium(3+); trichloride Openeye Name: 1-hexadecyl-2-[6-(1-hexadecylbenzimidazol-2-yl)-2-pyridyl]benzimidazole; neodymium(3+); trichloride CAS Name: 1-hexadecyl-2-[6-(1-hexadecyl-2-benzimidazolyl)-2-pyridinyl]benzimidazole; neodymium(3+); trichloride IUPAC Name: 1-hexadecyl-2-[6-(1-hexadecylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole; neodymium(3+); trichloride Traditional Name: 1-cetyl-2-[6-(1-cetylbenzimidazol-2-yl)-2-pyridyl]benzimidazole; neodymium(3+); trichloride Formula: C51H77Cl3N5Nd MolecularWeight: 1010.78958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4CCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Nd+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2N=C1C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4CCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Nd+3]

InChI

InChI=1S/C51H77N5.3ClH.Nd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-42-55-48-40-31-29-36-44(48)53-50(55)46-38-35-39-47(52-46)51-54-45-37-30-32-41-49(45)56(51)43-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h29-32,35-41H,3-28,33-34,42-43H2,1-2H3;3*1H;/q;;;;+3/p-3