cyclopenta-1,3-diene; 2,3-dimethyl-1-[2,3,5,6-tetrakis(fluoranyl)phenyl]-5H-indol-5-ide; titanium(4+)

Systemtic Name: cyclopenta-1,3-diene; 2,3-dimethyl-1-[2,3,5,6-tetrakis(fluoranyl)phenyl]-5H-indol-5-ide; titanium(4+) Openeye Name: cyclopenta-1,3-diene; 2,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)-5H-indol-5-ide; titanium(4+) CAS Name: cyclopenta-1,3-diene; 2,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)-5H-indol-5-ide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; 2,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)-5H-indol-5-ide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 2,3-dimethyl-1-(2,3,5,6-tetrafluorophenyl)-5H-indol-5-ide; titanium(4+) Formula: C42H30F8N2Ti MolecularWeight: 762.555226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=[C-]C=C12)C3=C(C(=CC(=C3F)F)F)F)C.CC1=C(N(C2=CC=[C-]C=C12)C3=C(C(=CC(=C3F)F)F)F)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC1=C(N(C2=CC=[C-]C=C12)C3=C(C(=CC(=C3F)F)F)F)C.CC1=C(N(C2=CC=[C-]C=C12)C3=C(C(=CC(=C3F)F)F)F)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C16H10F4N.2C5H5.Ti/c2*1-8-9(2)21(13-6-4-3-5-10(8)13)16-14(19)11(17)7-12(18)15(16)20;2*1-2-4-5-3-1;/h2*4-7H,1-2H3;2*1-3H,4H2;/q4*-1;+4