6-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate

Systemtic Name: 6-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate Openeye Name: 6-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate CAS Name: 6-nitro-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-1H-benzimidazole tetrafluoroborate IUPAC Name: 6-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate Traditional Name: 6-nitro-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate Formula: C30H21BF4N4O2 MolecularWeight: 556.317953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C30H21N4O2.BF4/c35-34(36)25-16-17-26-27(20-25)32-30(31-26)33-28(22-12-6-2-7-13-22)18-24(21-10-4-1-5-11-21)19-29(33)23-14-8-3-9-15-23;2-1(3,4)5/h1-20H,(H,31,32);/q+1;-1