Molecule ID: 135885225

IUPAC Name: 4-[4,6-di(indazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline;europium;(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one

Description: The molecule is a europium coordination entity composed of europium(III) coordinated to 4-[4,6-di(1H-indazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline and three 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione units. It has a role as a fluorochrome.

SMILES: CCN(CC)c1ccc(-c2nc(-n3ncc4ccccc43)nc(-n3ncc4ccccc43)n2)cc1.O=C(/C=C(\O)C(F)(F)F)c1cccs1.O=C(/C=C(\O)C(F)(F)F)c1cccs1.O=C(/C=C(\O)C(F)(F)F)c1cccs1.[Eu]

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C].[O][=C][Branch1][=C][/C][=C][Branch1][C][\O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][S][Ring1][Branch1].[O][=C][Branch1][=C][/C][=C][Branch1][C][\O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][S][Ring1][Branch1].[O][=C][Branch1][=C][/C][=C][Branch1][C][\O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][S][Ring1][Branch1].[Eu]

InChI: InChI=1S/C27H24N8.3C8H5F3O2S.Eu/c1-3-33(4-2)22-15-13-19(14-16-22)25-30-26(34-23-11-7-5-9-20(23)17-28-34)32-27(31-25)35-24-12-8-6-10-21(24)18-29-35;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h5-18H,3-4H2,1-2H3;3*1-4,13H;/b;3*7-4-;

Molecular Properties:
- Polar Surface Area: 274.0 Ų
- LogP: nan