6-[6-(6-carboxylatopyridin-2-yl)-4-(2-phenylethynyl)pyridin-2-yl]pyridine-2-carboxylate; terbium(3+)

Systemtic Name: 6-[6-(6-carboxylatopyridin-2-yl)-4-(2-phenylethynyl)pyridin-2-yl]pyridine-2-carboxylate; terbium(3+) Openeye Name: 6-[6-(6-carboxylato-2-pyridyl)-4-(2-phenylethynyl)-2-pyridyl]pyridine-2-carboxylate; terbium(3+) CAS Name: 6-[6-(6-carboxylato-2-pyridinyl)-4-(2-phenylethynyl)-2-pyridinyl]-2-pyridinecarboxylate; terbium(3+) IUPAC Name: 6-[6-(6-carboxylatopyridin-2-yl)-4-(2-phenylethynyl)pyridin-2-yl]pyridine-2-carboxylate; terbium(3+) Traditional Name: 6-[6-(6-carboxylato-2-pyridyl)-4-(2-phenylethynyl)-2-pyridyl]picolinate; terbium(3+) Formula: C75H39N9O12Tb2 MolecularWeight: 1576.01594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)[O-])C4=NC(=CC=C4)C(=O)[O-].C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)[O-])C4=NC(=CC=C4)C(=O)[O-].C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)[O-])C4=NC(=CC=C4)C(=O)[O-].[Tb+3].[Tb+3]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)[O-])C4=NC(=CC=C4)C(=O)[O-].C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)[O-])C4=NC(=CC=C4)C(=O)[O-].C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)[O-])C4=NC(=CC=C4)C(=O)[O-].[Tb+3].[Tb+3]

InChI

InChI=1S/3C25H15N3O4.2Tb/c3*29-24(30)20-10-4-8-18(26-20)22-14-17(13-12-16-6-2-1-3-7-16)15-23(28-22)19-9-5-11-21(27-19)25(31)32;;/h3*1-11,14-15H,(H,29,30)(H,31,32);;/q;;;2*+3/p-6