gadolinium(3+); N-[(6-naphthalen-1-ylpyridin-2-yl)-phenyl-methyl]-2,6-di(propan-2-yl)aniline

Systemtic Name: gadolinium(3+); N-[(6-naphthalen-1-ylpyridin-2-yl)-phenyl-methyl]-2,6-di(propan-2-yl)aniline Openeye Name: 2,6-diisopropyl-N-[[6-(1-naphthyl)-2-pyridyl]-phenyl-methyl]aniline; gadolinium(3+) CAS Name: gadolinium(3+); N-[[6-(1-naphthalenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline IUPAC Name: gadolinium(3+); N-[(6-naphthalen-1-ylpyridin-2-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline Traditional Name: (2,6-diisopropylphenyl)-[[6-(1-naphthyl)-2-pyridyl]-phenyl-methyl]amine; gadolinium(3+) Formula: C34H33GdN2+2 MolecularWeight: 626.88922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC=[C-]2)C3=CC=CC(=N3)C4=CC=CC5=CC=CC=C54.[Gd+3]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC=[C-]2)C3=CC=CC(=N3)C4=CC=CC5=CC=CC=C54.[Gd+3]

InChI

InChI=1S/C34H33N2.Gd/c1-23(2)27-18-11-19-28(24(3)4)34(27)36-33(26-14-6-5-7-15-26)32-22-12-21-31(35-32)30-20-10-16-25-13-8-9-17-29(25)30;/h5-14,16-24,33,36H,1-4H3;/q-1;+3