gadolinium(3+); 4-methyl-N-[phenyl-(6-phenylpyridin-2-yl)methyl]-2,6-di(propan-2-yl)aniline

Systemtic Name: gadolinium(3+); 4-methyl-N-[phenyl-(6-phenylpyridin-2-yl)methyl]-2,6-di(propan-2-yl)aniline Openeye Name: 2,6-diisopropyl-4-methyl-N-[phenyl-(6-phenyl-2-pyridyl)methyl]aniline; gadolinium(3+) CAS Name: gadolinium(3+); 4-methyl-N-[phenyl-(6-phenyl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline IUPAC Name: gadolinium(3+); 4-methyl-N-[phenyl-(6-phenylpyridin-2-yl)methyl]-2,6-di(propan-2-yl)aniline Traditional Name: (2,6-diisopropyl-4-methyl-phenyl)-[phenyl-(6-phenyl-2-pyridyl)methyl]amine; gadolinium(3+) Formula: C31H33GdN2+2 MolecularWeight: 590.85712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)C)NC(C2=CC=CC=[C-]2)C3=CC=CC(=N3)C4=CC=CC=C4)C(C)C.[Gd+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)C)NC(C2=CC=CC=[C-]2)C3=CC=CC(=N3)C4=CC=CC=C4)C(C)C.[Gd+3]

InChI

InChI=1S/C31H33N2.Gd/c1-21(2)26-19-23(5)20-27(22(3)4)31(26)33-30(25-15-10-7-11-16-25)29-18-12-17-28(32-29)24-13-8-6-9-14-24;/h6-15,17-22,30,33H,1-5H3;/q-1;+3