About (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile
(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile (PubChem CID 161474820) has the molecular formula C292H70F48N100O4
and a molecular weight of 5954.37 g/mol. Its IUPAC name is (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile?
The IUPAC name of (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile (CID 161474820) is (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile.
What is the SMILES notation for (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile?
The canonical SMILES for (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile is N#C/C(=C1/N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccccc4)n3)c(C#N)c2=N1)c1c(F)c(F)c(F)c(F)c1F.[C-]#[N+]/C(=C1\N=c2ccc(-c3nc(-c4cc(C#N)cc([N+]#[C-])c4)nc(-c4nc5c([N+]#[C-])ccc(F)c5o4)n3)c(C#N)c2=N1)c1c(F)c(F)c(C#N)c(F)c1F.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(-c4cc(C#N)cc([N+]#[C-])c4)nc(-c4nc5cc(C#N)c(C#N)cc5o4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(-c4cc(C#N)cc([N+]#[C-])c4)nc(-c4nc5cc(C#N)c(F)cc5o4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(-c4ccccc4)nc(-c4nc5ccccc5o4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4\N=c5cc(C)cc(C(F)(F)F)c5=N4)nc(-c4c(F)c(F)c(C(F)(F)F)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4\N=c5cc(C)cc(C(F)(F)F)c5=N4)nc(-c4ccc(C(F)(F)F)cc4)n3)c(C#N)c2=N1.[C-]#[N+]c1c(F)c(F)c(/C(C#N)=C2\N=c3ccc(-c4nc(/C(C#N)=C5/N=c6cc(F)cc(F)c6=N5)nc(-c5c(F)c(F)c(F)c(F)c5F)n4)c(C#N)c3=N2)c(F)c1F.[C-]#[N+]c1c(F)c(F)c(/C(C#N)=C2\N=c3ccc(-c4nc(/C(C#N)=C5/N=c6cc(F)cc(F)c6=N5)nc(-c5cc(F)cc(F)c5)n4)c(C#N)c3=N2)c(F)c1F.
What is the InChIKey of (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile?
The InChIKey is WDONXDHLPKXZDX-PUVVQWPFSA-N. The full InChI is InChI=1S/C36H7F5N12O.C35H4F11N11.C35H7F8N11.C34H9F7N10.C32H7F10N11.C32H11F6N11.C31H7N13O.C30H7FN12O.C27H11N9O/c1-45-16-9-14(11-42)8-15(10-16)32-51-33(53-35(52-32)36-50-29-21(46-2)7-5-20(37)31(29)54-36)17-4-6-22-28(18(17)12-43)49-34(48-22)30(47-3)23-26(40)24(38)19(13-44)25(39)27(23)41;1-50-30-26(45)19(38)17(20(39)27(30)46)12(7-48)32-51-15-3-2-10(11(6-47)28(15)53-32)31-55-34(13(8-49)33-52-16-5-9(36)4-14(37)29(16)54-33)57-35(56-31)18-21(40)23(42)25(44)24(43)22(18)41;1-47-30-26(42)24(40)23(25(41)27(30)43)18(10-45)33-48-21-3-2-16(17(9-44)28(21)50-33)32-52-31(12-4-13(36)6-14(37)5-12)53-35(54-32)19(11-46)34-49-22-8-15(38)7-20(39)29(22)51-34;35-14-8-19(36)29-21(9-14)46-33(48-29)18(12-44)34-50-30(13-4-2-1-3-5-13)49-31(51-34)15-6-7-20-28(16(15)10-42)47-32(45-20)17(11-43)22-23(37)25(39)27(41)26(40)24(22)38;1-10-5-14(31(37,38)39)25-16(6-10)48-27(50-25)13(8-44)28-51-26(11-3-4-15-24(12(11)7-43)49-29(47-15)17(9-45)46-2)52-30(53-28)18-20(33)22(35)19(32(40,41)42)23(36)21(18)34;1-14-9-20(32(36,37)38)25-22(10-14)44-28(46-25)19(12-40)29-48-26(15-3-5-16(6-4-15)31(33,34)35)47-27(49-29)17-7-8-21-24(18(17)11-39)45-30(43-21)23(13-41)42-2;1-37-19-6-15(10-32)5-16(7-19)27-42-28(20-3-4-22-26(21(20)13-35)41-29(39-22)24(14-36)38-2)44-30(43-27)31-40-23-8-17(11-33)18(12-34)9-25(23)45-31;1-36-17-6-14(10-32)5-15(7-17)26-41-27(18-3-4-21-25(19(18)12-34)40-28(38-21)23(13-35)37-2)43-29(42-26)30-39-22-8-16(11-33)20(31)9-24(22)44-30;1-30-20(14-29)25-31-19-12-11-16(17(13-28)22(19)33-25)24-34-23(15-7-3-2-4-8-15)35-26(36-24)27-32-18-9-5-6-10-21(18)37-27/h4-10H;2-5H;2-8H;1-9H;3-6H,1H3;3-10H,1H3;3-9H;3-9H;2-12H/b34-30+;32-12+,33-13-;33-18+,34-19-;32-17+,33-18-;27-13+,29-17+;28-19+,30-23+;29-24+;28-23+;25-20+.
What are the key properties of (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile?
(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile has a molecular weight of 5954.37 g/mol, XLogP of 43.02, 31 rotatable bonds, 0 hydrogen bond donors, and 92 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[4-(1,3-benzoxazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole-5,6-dicarbonitrile;2-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-6-fluoro-1,3-benzoxazole-5-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(3,5-difluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[6-methyl-4-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-5-[4-(3-cyano-5-isocyanophenyl)-6-(7-fluoro-4-isocyano-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]benzimidazole-4-carbonitrile is sourced from PubChem (CID 161474820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).