1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-(triphenylmethyl)-2H-benzimidazol-1-ium

Systemtic Name: 1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-(triphenylmethyl)-2H-benzimidazol-1-ium Openeye Name: 1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-trityl-2H-benzimidazol-1-ium CAS Name: 1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-(triphenylmethyl)-2H-benzimidazol-1-ium IUPAC Name: 1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-trityl-2H-benzimidazol-1-ium Traditional Name: 1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-trityl-2H-benzimidazol-1-ium Formula: C41H31F2N4+ MolecularWeight: 617.708446

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C([N+]1(C3=CC=C(C=C3)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(C=C2)C7=CNN=C7)C8=CC=C(C=C8)F

Isomeric SMILES

C1N(C2=C([N+]1(C3=CC=C(C=C3)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(C=C2)C7=CNN=C7)C8=CC=C(C=C8)F

InChI

InChI=1S/C41H31F2N4/c42-35-17-21-37(22-18-35)46-29-47(38-23-19-36(43)20-24-38,40-26-30(16-25-39(40)46)31-27-44-45-28-31)41(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H,29H2,(H,44,45)/q+1