2-(3-ethynylphenyl)-5-[2-[2-(3-ethynylphenyl)-1-phenyl-benzimidazol-5-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-1-phenyl-benzimidazole

Systemtic Name: 2-(3-ethynylphenyl)-5-[2-[2-(3-ethynylphenyl)-1-phenyl-benzimidazol-5-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-1-phenyl-benzimidazole Openeye Name: 2-(3-ethynylphenyl)-5-[1-[2-(3-ethynylphenyl)-1-phenyl-benzimidazol-5-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-phenyl-benzimidazole CAS Name: 2-(3-ethynylphenyl)-5-[2-[2-(3-ethynylphenyl)-1-phenyl-5-benzimidazolyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-phenylbenzimidazole IUPAC Name: 2-(3-ethynylphenyl)-5-[2-[2-(3-ethynylphenyl)-1-phenylbenzimidazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-phenylbenzimidazole Traditional Name: 2-(3-ethynylphenyl)-5-[1-[2-(3-ethynylphenyl)-1-phenyl-benzimidazol-5-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-phenyl-benzimidazole Formula: C45H26F6N4 MolecularWeight: 736.705159

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)C(C5=CC6=C(C=C5)N(C(=N6)C7=CC=CC(=C7)C#C)C8=CC=CC=C8)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)C(C5=CC6=C(C=C5)N(C(=N6)C7=CC=CC(=C7)C#C)C8=CC=CC=C8)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C45H26F6N4/c1-3-29-13-11-15-31(25-29)41-52-37-27-33(21-23-39(37)54(41)35-17-7-5-8-18-35)43(44(46,47)48,45(49,50)51)34-22-24-40-38(28-34)53-42(32-16-12-14-30(4-2)26-32)55(40)36-19-9-6-10-20-36/h1-2,5-28H