2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile

C361H69F46N143O5 — CID 158053516

IUPAC2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
SMILES[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5c(F)c(F)c(F)c(F)c5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5cc(F)c(F)cc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5cc([N+]#[C-])c(C#N)cc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5ccccc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(-c4nc5c(F)c(F)c(F)c(F)c5o4)nc(-c4ccc5c(c4[N+]#[C-])=N/C(=C(/C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(/C([N+]#[C-])=C4/N=c5cc(C)c(C(F)(F)F)cc5=N4)n3)cc2=N1.[C-]#[N+]C(=C1N=c2c(F)c(F)c(F)c(F)c2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2cc(C#N)c(C#N)cc2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)[N+]#[C-])N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(C#N)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1nc(C(C#N)=C2N=c3ccccc3=N2)nc(-c2ccc3c(c2)=N/C(=C(\C#N)[N+]#[C-])N=3)n1
InChIInChI=1S/C44H4F14N14.C44H8F10N14.C42H6F4N18.C37H4F9N13O.C34H6N16O.C33H12F3N13.C32H4F4N14O.C32H6F2N14O.C32H8N14O.C31H11N13/c1-61-33-11(5-7-15-34(33)67-42(65-15)35(62-2)17-20(47)24(51)27(54)25(52)21(17)48)40-70-39(71-44(72-40)38(63-3)43-68-36-30(57)28(55)29(56)31(58)37(36)69-43)10-4-6-14-32(12(10)8-59)66-41(64-14)13(9-60)16-18(45)22(49)26(53)23(50)19(16)46;1-57-35-15(9-11-21-36(35)65-42(63-21)37(58-2)23-26(47)30(51)33(54)31(52)27(23)48)40-66-39(67-44(68-40)38(59-3)43-60-18-6-4-5-7-19(18)61-43)14-8-10-20-34(16(14)12-55)64-41(62-20)17(13-56)22-24(45)28(49)32(53)29(50)25(22)46;1-52-26(15-51)39-56-22-7-5-18(20(13-49)32(22)60-39)37-62-38(64-42(63-37)36(55-4)41-58-24-9-16(11-47)17(12-48)10-25(24)59-41)19-6-8-23-34(33(19)53-2)61-40(57-23)35(54-3)27-30(45)28(43)21(14-50)29(44)31(27)46;1-50-16(9-49)35-53-14-5-3-10(12(7-47)27(14)54-35)32-57-33(59-36(58-32)37-56-30-25(45)23(43)24(44)26(46)31(30)60-37)11-4-6-15-29(28(11)51-2)55-34(52-15)13(8-48)17-18(38)20(40)22(42)21(41)19(17)39;1-39-21-10-22-25(9-15(21)11-35)51-34(45-22)33-49-29(16-5-7-19-26(18(16)12-36)46-31(43-19)23(13-37)40-2)48-30(50-33)17-6-8-20-28(27(17)42-4)47-32(44-20)24(14-38)41-3;1-15-10-22-24(12-18(15)33(34,35)36)46-31(45-22)26(40-3)32-48-27(16-8-9-21-23(11-16)44-30(43-21)25(14-38)39-2)47-29(49-32)17(13-37)28-41-19-6-4-5-7-20(19)42-28;1-40-16(9-38)29-43-14-6-4-11(13(8-37)22(14)45-29)27-48-28(12-5-7-15-24(23(12)42-3)46-30(44-15)17(10-39)41-2)50-31(49-27)32-47-25-20(35)18(33)19(34)21(36)26(25)51-32;1-38-21(11-36)29-41-18-6-4-13(15(10-35)24(18)44-29)27-46-28(48-31(47-27)32-43-20-8-16(33)17(34)9-23(20)49-32)14-5-7-19-26(25(14)40-3)45-30(42-19)22(12-37)39-2;1-36-21(13-34)29-39-19-10-8-15(17(12-33)24(19)42-29)27-44-28(46-31(45-27)32-41-18-6-4-5-7-23(18)47-32)16-9-11-20-26(25(16)38-3)43-30(40-20)22(14-35)37-2;1-34-24(15-33)29-38-22-12-11-16(13-23(22)41-29)26-42-28(17(14-32)27-36-18-7-3-4-8-19(18)37-27)44-31(43-26)25(35-2)30-39-20-9-5-6-10-21(20)40-30/h4-7H;4-11H;5-10H;3-6H;5-10H;4-12H,1H3;4-7H;4-9H;4-11H;3-13H/b41-13+,42-35-;41-17+,42-37-;39-26+,40-35-;34-13-,35-16+;31-23+,32-24-;30-25+,31-26+;29-16+,30-17-;2*29-21+,30-22-;29-24+
InChIKeyFJTMXNZAEJEJNZ-QMNZQGIASA-N
MW7362.43 g/mol
LogP39.58
Rot. Bonds36

About 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile

2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile (PubChem CID 158053516) has the molecular formula C361H69F46N143O5 and a molecular weight of 7362.43 g/mol. Its IUPAC name is 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
PubChem CID158053516
Molecular FormulaC361H69F46N143O5
Molecular Weight7362.43 g/mol
Exact Mass7357.88
IUPAC Name2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
SMILES[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5c(F)c(F)c(F)c(F)c5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5cc(F)c(F)cc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5cc([N+]#[C-])c(C#N)cc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5ccccc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(-c4nc5c(F)c(F)c(F)c(F)c5o4)nc(-c4ccc5c(c4[N+]#[C-])=N/C(=C(/C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(/C([N+]#[C-])=C4/N=c5cc(C)c(C(F)(F)F)cc5=N4)n3)cc2=N1.[C-]#[N+]C(=C1N=c2c(F)c(F)c(F)c(F)c2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2cc(C#N)c(C#N)cc2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)[N+]#[C-])N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(C#N)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1nc(C(C#N)=C2N=c3ccccc3=N2)nc(-c2ccc3c(c2)=N/C(=C(\C#N)[N+]#[C-])N=3)n1
InChIInChI=1S/C44H4F14N14.C44H8F10N14.C42H6F4N18.C37H4F9N13O.C34H6N16O.C33H12F3N13.C32H4F4N14O.C32H6F2N14O.C32H8N14O.C31H11N13/c1-61-33-11(5-7-15-34(33)67-42(65-15)35(62-2)17-20(47)24(51)27(54)25(52)21(17)48)40-70-39(71-44(72-40)38(63-3)43-68-36-30(57)28(55)29(56)31(58)37(36)69-43)10-4-6-14-32(12(10)8-59)66-41(64-14)13(9-60)16-18(45)22(49)26(53)23(50)19(16)46;1-57-35-15(9-11-21-36(35)65-42(63-21)37(58-2)23-26(47)30(51)33(54)31(52)27(23)48)40-66-39(67-44(68-40)38(59-3)43-60-18-6-4-5-7-19(18)61-43)14-8-10-20-34(16(14)12-55)64-41(62-20)17(13-56)22-24(45)28(49)32(53)29(50)25(22)46;1-52-26(15-51)39-56-22-7-5-18(20(13-49)32(22)60-39)37-62-38(64-42(63-37)36(55-4)41-58-24-9-16(11-47)17(12-48)10-25(24)59-41)19-6-8-23-34(33(19)53-2)61-40(57-23)35(54-3)27-30(45)28(43)21(14-50)29(44)31(27)46;1-50-16(9-49)35-53-14-5-3-10(12(7-47)27(14)54-35)32-57-33(59-36(58-32)37-56-30-25(45)23(43)24(44)26(46)31(30)60-37)11-4-6-15-29(28(11)51-2)55-34(52-15)13(8-48)17-18(38)20(40)22(42)21(41)19(17)39;1-39-21-10-22-25(9-15(21)11-35)51-34(45-22)33-49-29(16-5-7-19-26(18(16)12-36)46-31(43-19)23(13-37)40-2)48-30(50-33)17-6-8-20-28(27(17)42-4)47-32(44-20)24(14-38)41-3;1-15-10-22-24(12-18(15)33(34,35)36)46-31(45-22)26(40-3)32-48-27(16-8-9-21-23(11-16)44-30(43-21)25(14-38)39-2)47-29(49-32)17(13-37)28-41-19-6-4-5-7-20(19)42-28;1-40-16(9-38)29-43-14-6-4-11(13(8-37)22(14)45-29)27-48-28(12-5-7-15-24(23(12)42-3)46-30(44-15)17(10-39)41-2)50-31(49-27)32-47-25-20(35)18(33)19(34)21(36)26(25)51-32;1-38-21(11-36)29-41-18-6-4-13(15(10-35)24(18)44-29)27-46-28(48-31(47-27)32-43-20-8-16(33)17(34)9-23(20)49-32)14-5-7-19-26(25(14)40-3)45-30(42-19)22(12-37)39-2;1-36-21(13-34)29-39-19-10-8-15(17(12-33)24(19)42-29)27-44-28(46-31(45-27)32-41-18-6-4-5-7-23(18)47-32)16-9-11-20-26(25(16)38-3)43-30(40-20)22(14-35)37-2;1-34-24(15-33)29-38-22-12-11-16(13-23(22)41-29)26-42-28(17(14-32)27-36-18-7-3-4-8-19(18)37-27)44-31(43-26)25(35-2)30-39-20-9-5-6-10-21(20)40-30/h4-7H;4-11H;5-10H;3-6H;5-10H;4-12H,1H3;4-7H;4-9H;4-11H;3-13H/b41-13+,42-35-;41-17+,42-37-;39-26+,40-35-;34-13-,35-16+;31-23+,32-24-;30-25+,31-26+;29-16+,30-17-;2*29-21+,30-22-;29-24+
InChIKeyFJTMXNZAEJEJNZ-QMNZQGIASA-N
XLogP39.58
TPSA1951.20 Ų
H-Bond Donors
H-Bond Acceptors119
Rotatable Bonds36
Heavy Atoms555
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007362.43
LogP ≤ 539.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10119

Analyze 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile with MolForge

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What is the IUPAC name of 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile (CID 158053516) is 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile is [C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5c(F)c(F)c(F)c(F)c5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5cc(F)c(F)cc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5cc([N+]#[C-])c(C#N)cc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1/N=c2ccc(-c3nc(-c4nc5ccccc5o4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)[N+]#[C-])N=5)n3)c([N+]#[C-])c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(-c4nc5c(F)c(F)c(F)c(F)c5o4)nc(-c4ccc5c(c4[N+]#[C-])=N/C(=C(/C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(/C([N+]#[C-])=C4/N=c5cc(C)c(C(F)(F)F)cc5=N4)n3)cc2=N1.[C-]#[N+]C(=C1N=c2c(F)c(F)c(F)c(F)c2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2cc(C#N)c(C#N)cc2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)[N+]#[C-])N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(C#N)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)nc(-c2ccc3c(c2[N+]#[C-])=N/C(=C(\[N+]#[C-])c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1nc(C(C#N)=C2N=c3ccccc3=N2)nc(-c2ccc3c(c2)=N/C(=C(\C#N)[N+]#[C-])N=3)n1.
What is the InChIKey of 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The InChIKey is FJTMXNZAEJEJNZ-QMNZQGIASA-N. The full InChI is InChI=1S/C44H4F14N14.C44H8F10N14.C42H6F4N18.C37H4F9N13O.C34H6N16O.C33H12F3N13.C32H4F4N14O.C32H6F2N14O.C32H8N14O.C31H11N13/c1-61-33-11(5-7-15-34(33)67-42(65-15)35(62-2)17-20(47)24(51)27(54)25(52)21(17)48)40-70-39(71-44(72-40)38(63-3)43-68-36-30(57)28(55)29(56)31(58)37(36)69-43)10-4-6-14-32(12(10)8-59)66-41(64-14)13(9-60)16-18(45)22(49)26(53)23(50)19(16)46;1-57-35-15(9-11-21-36(35)65-42(63-21)37(58-2)23-26(47)30(51)33(54)31(52)27(23)48)40-66-39(67-44(68-40)38(59-3)43-60-18-6-4-5-7-19(18)61-43)14-8-10-20-34(16(14)12-55)64-41(62-20)17(13-56)22-24(45)28(49)32(53)29(50)25(22)46;1-52-26(15-51)39-56-22-7-5-18(20(13-49)32(22)60-39)37-62-38(64-42(63-37)36(55-4)41-58-24-9-16(11-47)17(12-48)10-25(24)59-41)19-6-8-23-34(33(19)53-2)61-40(57-23)35(54-3)27-30(45)28(43)21(14-50)29(44)31(27)46;1-50-16(9-49)35-53-14-5-3-10(12(7-47)27(14)54-35)32-57-33(59-36(58-32)37-56-30-25(45)23(43)24(44)26(46)31(30)60-37)11-4-6-15-29(28(11)51-2)55-34(52-15)13(8-48)17-18(38)20(40)22(42)21(41)19(17)39;1-39-21-10-22-25(9-15(21)11-35)51-34(45-22)33-49-29(16-5-7-19-26(18(16)12-36)46-31(43-19)23(13-37)40-2)48-30(50-33)17-6-8-20-28(27(17)42-4)47-32(44-20)24(14-38)41-3;1-15-10-22-24(12-18(15)33(34,35)36)46-31(45-22)26(40-3)32-48-27(16-8-9-21-23(11-16)44-30(43-21)25(14-38)39-2)47-29(49-32)17(13-37)28-41-19-6-4-5-7-20(19)42-28;1-40-16(9-38)29-43-14-6-4-11(13(8-37)22(14)45-29)27-48-28(12-5-7-15-24(23(12)42-3)46-30(44-15)17(10-39)41-2)50-31(49-27)32-47-25-20(35)18(33)19(34)21(36)26(25)51-32;1-38-21(11-36)29-41-18-6-4-13(15(10-35)24(18)44-29)27-46-28(48-31(47-27)32-43-20-8-16(33)17(34)9-23(20)49-32)14-5-7-19-26(25(14)40-3)45-30(42-19)22(12-37)39-2;1-36-21(13-34)29-39-19-10-8-15(17(12-33)24(19)42-29)27-44-28(46-31(45-27)32-41-18-6-4-5-7-23(18)47-32)16-9-11-20-26(25(16)38-3)43-30(40-20)22(14-35)37-2;1-34-24(15-33)29-38-22-12-11-16(13-23(22)41-29)26-42-28(17(14-32)27-36-18-7-3-4-8-19(18)37-27)44-31(43-26)25(35-2)30-39-20-9-5-6-10-21(20)40-30/h4-7H;4-11H;5-10H;3-6H;5-10H;4-12H,1H3;4-7H;4-9H;4-11H;3-13H/b41-13+,42-35-;41-17+,42-37-;39-26+,40-35-;34-13-,35-16+;31-23+,32-24-;30-25+,31-26+;29-16+,30-17-;2*29-21+,30-22-;29-24+.
What are the key properties of 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile has a molecular weight of 7362.43 g/mol, XLogP of 39.58, 36 rotatable bonds, 0 hydrogen bond donors, and 119 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-2-ylidene)-2-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]acetonitrile;2-(benzimidazol-2-ylidene)-2-[4-[(2E)-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-1,3,5-triazin-2-yl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(isocyano)methyl]-6-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-(1,3-benzoxazol-2-yl)-6-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-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-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2Z)-2-[(4-cyano-2,3,5,6-tetrafluorophenyl)-isocyanomethylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-isocyanomethylidene]benzimidazole-5,6-dicarbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(5,6-difluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2Z)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(2E)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-4-isocyanobenzimidazol-5-yl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[(2Z)-4-isocyano-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazol-5-yl]-6-[isocyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 158053516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).