(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile

C275H69F23N112 — CID 159076843

IUPAC(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
SMILES[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5c(C#N)ccc([N+]#[C-])c5=N4)nc(-c4cc(C#N)cc([N+]#[C-])c4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(C#N)c([N+]#[C-])cc5=N4)nc(-c4c(F)c(F)c(C#N)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#N)c([N+]#[C-])cc5=N4)nc(-c4ccc(C#N)cc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccccc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4cccnc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4\N=c5cc(C)c(C(F)(F)F)cc5=N4)nc(-c4ccc(C(F)(F)F)cc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4c(F)c(F)c(C#N)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4c(F)c(F)c(F)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4ccc(C#N)cc4)n3)c(C#N)c2=N1
InChIInChI=1S/C33H7N15.C32H11F6N11.C32H4F4N14.C32H8N14.C30H6F4N12.C30H10N12.C29H6F5N11.C29H9F2N11.C28H8F2N12/c1-39-19-9-16(11-34)8-18(10-19)29-46-30(20-5-7-24-27(21(20)13-36)44-33(42-24)25(15-38)41-3)48-32(47-29)22(14-37)31-43-26-17(12-35)4-6-23(40-2)28(26)45-31;1-14-9-22-23(10-20(14)32(36,37)38)45-28(44-22)19(12-40)29-48-26(15-3-5-16(6-4-15)31(33,34)35)47-27(49-29)17-7-8-21-25(18(17)11-39)46-30(43-21)24(13-41)42-2;1-42-18-6-20-19(5-12(18)7-37)45-29(46-20)16(10-40)30-48-28(49-32(50-30)22-25(35)23(33)15(9-39)24(34)26(22)36)13-3-4-17-27(14(13)8-38)47-31(44-17)21(11-41)43-2;1-38-23-10-25-24(9-18(23)12-34)41-30(42-25)21(14-36)31-45-28(17-5-3-16(11-33)4-6-17)44-29(46-31)19-7-8-22-27(20(19)13-35)43-32(40-22)26(15-37)39-2;1-39-19(11-38)29-42-18-7-6-12(13(8-35)25(18)43-29)26-44-28(15(10-37)27-40-16-4-2-3-5-17(16)41-27)46-30(45-26)20-23(33)21(31)14(9-36)22(32)24(20)34;1-35-24(15-34)30-38-23-11-10-18(19(13-32)25(23)39-30)27-40-26(17-8-6-16(12-31)7-9-17)41-29(42-27)20(14-33)28-36-21-4-2-3-5-22(21)37-28;1-38-17(10-37)28-41-16-7-6-11(12(8-35)24(16)42-28)25-43-27(13(9-36)26-39-14-4-2-3-5-15(14)40-26)45-29(44-25)18-19(30)21(32)23(34)22(33)20(18)31;1-35-22(13-34)29-36-20-8-7-16(17(11-32)23(20)38-29)26-40-25(14-5-3-2-4-6-14)41-28(42-26)18(12-33)27-37-21-10-15(30)9-19(31)24(21)39-27;1-34-21(11-33)28-36-19-5-4-15(16(9-31)22(19)38-28)25-40-24(13-3-2-6-35-12-13)41-27(42-25)17(10-32)26-37-20-8-14(29)7-18(30)23(20)39-26/h4-10H;3-10H,1H3;3-6H;3-10H;2-7H;2-11H;2-7H;2-10H;2-8,12H/b31-22-,33-25+;28-19+,30-24+;29-16-,31-21+;30-21-,32-26+;29-19+;30-24+;28-17+;27-18-,29-22+;26-17-,28-21+
InChIKeyKAIXNEQEQMEHDH-WMCRYSTRSA-N
MW5378.32 g/mol
LogP24.07
Rot. Bonds27

About (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile

(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile (PubChem CID 159076843) has the molecular formula C275H69F23N112 and a molecular weight of 5378.32 g/mol. Its IUPAC name is (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
PubChem CID159076843
Molecular FormulaC275H69F23N112
Molecular Weight5378.32 g/mol
Exact Mass5374.85
IUPAC Name(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
SMILES[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5c(C#N)ccc([N+]#[C-])c5=N4)nc(-c4cc(C#N)cc([N+]#[C-])c4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(C#N)c([N+]#[C-])cc5=N4)nc(-c4c(F)c(F)c(C#N)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#N)c([N+]#[C-])cc5=N4)nc(-c4ccc(C#N)cc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccccc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4cccnc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4\N=c5cc(C)c(C(F)(F)F)cc5=N4)nc(-c4ccc(C(F)(F)F)cc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4c(F)c(F)c(C#N)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4c(F)c(F)c(F)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4ccc(C#N)cc4)n3)c(C#N)c2=N1
InChIInChI=1S/C33H7N15.C32H11F6N11.C32H4F4N14.C32H8N14.C30H6F4N12.C30H10N12.C29H6F5N11.C29H9F2N11.C28H8F2N12/c1-39-19-9-16(11-34)8-18(10-19)29-46-30(20-5-7-24-27(21(20)13-36)44-33(42-24)25(15-38)41-3)48-32(47-29)22(14-37)31-43-26-17(12-35)4-6-23(40-2)28(26)45-31;1-14-9-22-23(10-20(14)32(36,37)38)45-28(44-22)19(12-40)29-48-26(15-3-5-16(6-4-15)31(33,34)35)47-27(49-29)17-7-8-21-25(18(17)11-39)46-30(43-21)24(13-41)42-2;1-42-18-6-20-19(5-12(18)7-37)45-29(46-20)16(10-40)30-48-28(49-32(50-30)22-25(35)23(33)15(9-39)24(34)26(22)36)13-3-4-17-27(14(13)8-38)47-31(44-17)21(11-41)43-2;1-38-23-10-25-24(9-18(23)12-34)41-30(42-25)21(14-36)31-45-28(17-5-3-16(11-33)4-6-17)44-29(46-31)19-7-8-22-27(20(19)13-35)43-32(40-22)26(15-37)39-2;1-39-19(11-38)29-42-18-7-6-12(13(8-35)25(18)43-29)26-44-28(15(10-37)27-40-16-4-2-3-5-17(16)41-27)46-30(45-26)20-23(33)21(31)14(9-36)22(32)24(20)34;1-35-24(15-34)30-38-23-11-10-18(19(13-32)25(23)39-30)27-40-26(17-8-6-16(12-31)7-9-17)41-29(42-27)20(14-33)28-36-21-4-2-3-5-22(21)37-28;1-38-17(10-37)28-41-16-7-6-11(12(8-35)24(16)42-28)25-43-27(13(9-36)26-39-14-4-2-3-5-15(14)40-26)45-29(44-25)18-19(30)21(32)23(34)22(33)20(18)31;1-35-22(13-34)29-36-20-8-7-16(17(11-32)23(20)38-29)26-40-25(14-5-3-2-4-6-14)41-28(42-26)18(12-33)27-37-21-10-15(30)9-19(31)24(21)39-27;1-34-21(11-33)28-36-19-5-4-15(16(9-31)22(19)38-28)25-40-24(13-3-2-6-35-12-13)41-27(42-25)17(10-32)26-37-20-8-14(29)7-18(30)23(20)39-26/h4-10H;3-10H,1H3;3-6H;3-10H;2-7H;2-11H;2-7H;2-10H;2-8,12H/b31-22-,33-25+;28-19+,30-24+;29-16-,31-21+;30-21-,32-26+;29-19+;30-24+;28-17+;27-18-,29-22+;26-17-,28-21+
InChIKeyKAIXNEQEQMEHDH-WMCRYSTRSA-N
XLogP24.07
TPSA1695.21 Ų
H-Bond Donors
H-Bond Acceptors99
Rotatable Bonds27
Heavy Atoms410
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005378.32
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1099

Analyze (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile with MolForge

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Related Compounds

(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile
CID 156623561
2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-6-isocyano-1,3-benzoxazole-5-carbonitrile
CID 156623415
(2E)-2-[cyano(isocyano)methylidene]-5-[4-(4-cyanophenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
CID 159600386
(2Z)-2-[cyano-[4-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]methylidene]-6-methylbenzimidazole-5-carbonitrile
CID 159720447
2-[cyano-[4-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]methylidene]benzimidazole-5,6-dicarbonitrile
CID 156623570
(2Z)-5-[4-[(2E)-4-cyano-2-[cyano(isocyano)methylidene]benzimidazol-5-yl]-6-[(2E)-2-[cyano(isocyano)methylidene]-4-isocyanobenzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile
CID 156623393
(2Z)-2-[4-[(Z)-[5-fluoro-6-(trifluoromethyl)benzimidazol-2-ylidene]-isocyanomethyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]acetonitrile
CID 160889220
(2Z)-2-[[4-[benzimidazol-2-ylidene(cyano)methyl]-6-[(Z)-(5-cyano-6-fluorobenzimidazol-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-cyanomethylidene]-6-methylbenzimidazole-5-carbonitrile
CID 157336693
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile
CID 158023413
(2E)-5-[4-(3,5-difluorophenyl)-6-[(2Z)-4-isocyano-2-(1-isocyanoethylidene)benzimidazol-5-yl]-1,3,5-triazin-2-yl]-2-[isocyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile
CID 159324735
7-[3-(3,5-dipyridin-3-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-isocyano-9,9-dimethylfluorene-2-carbonitrile
CID 171421863
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-5-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2-(4-cyanophenyl)-5-isocyano-6-(4-isocyanophenyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;4-[(3E,5E)-1-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-6-(3,4-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,2-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 165054826

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The IUPAC name of (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile (CID 159076843) is (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile.
What is the SMILES notation for (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The canonical SMILES for (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile is [C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5c(C#N)ccc([N+]#[C-])c5=N4)nc(-c4cc(C#N)cc([N+]#[C-])c4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(C#N)c([N+]#[C-])cc5=N4)nc(-c4c(F)c(F)c(C#N)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#N)c([N+]#[C-])cc5=N4)nc(-c4ccc(C#N)cc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccccc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4cccnc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(/C(C#N)=C4\N=c5cc(C)c(C(F)(F)F)cc5=N4)nc(-c4ccc(C(F)(F)F)cc4)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4c(F)c(F)c(C#N)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4c(F)c(F)c(F)c(F)c4F)n3)c(C#N)c2=N1.[C-]#[N+]/C(C#N)=C1\N=c2ccc(-c3nc(C(C#N)=C4N=c5ccccc5=N4)nc(-c4ccc(C#N)cc4)n3)c(C#N)c2=N1.
What is the InChIKey of (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The InChIKey is KAIXNEQEQMEHDH-WMCRYSTRSA-N. The full InChI is InChI=1S/C33H7N15.C32H11F6N11.C32H4F4N14.C32H8N14.C30H6F4N12.C30H10N12.C29H6F5N11.C29H9F2N11.C28H8F2N12/c1-39-19-9-16(11-34)8-18(10-19)29-46-30(20-5-7-24-27(21(20)13-36)44-33(42-24)25(15-38)41-3)48-32(47-29)22(14-37)31-43-26-17(12-35)4-6-23(40-2)28(26)45-31;1-14-9-22-23(10-20(14)32(36,37)38)45-28(44-22)19(12-40)29-48-26(15-3-5-16(6-4-15)31(33,34)35)47-27(49-29)17-7-8-21-25(18(17)11-39)46-30(43-21)24(13-41)42-2;1-42-18-6-20-19(5-12(18)7-37)45-29(46-20)16(10-40)30-48-28(49-32(50-30)22-25(35)23(33)15(9-39)24(34)26(22)36)13-3-4-17-27(14(13)8-38)47-31(44-17)21(11-41)43-2;1-38-23-10-25-24(9-18(23)12-34)41-30(42-25)21(14-36)31-45-28(17-5-3-16(11-33)4-6-17)44-29(46-31)19-7-8-22-27(20(19)13-35)43-32(40-22)26(15-37)39-2;1-39-19(11-38)29-42-18-7-6-12(13(8-35)25(18)43-29)26-44-28(15(10-37)27-40-16-4-2-3-5-17(16)41-27)46-30(45-26)20-23(33)21(31)14(9-36)22(32)24(20)34;1-35-24(15-34)30-38-23-11-10-18(19(13-32)25(23)39-30)27-40-26(17-8-6-16(12-31)7-9-17)41-29(42-27)20(14-33)28-36-21-4-2-3-5-22(21)37-28;1-38-17(10-37)28-41-16-7-6-11(12(8-35)24(16)42-28)25-43-27(13(9-36)26-39-14-4-2-3-5-15(14)40-26)45-29(44-25)18-19(30)21(32)23(34)22(33)20(18)31;1-35-22(13-34)29-36-20-8-7-16(17(11-32)23(20)38-29)26-40-25(14-5-3-2-4-6-14)41-28(42-26)18(12-33)27-37-21-10-15(30)9-19(31)24(21)39-27;1-34-21(11-33)28-36-19-5-4-15(16(9-31)22(19)38-28)25-40-24(13-3-2-6-35-12-13)41-27(42-25)17(10-32)26-37-20-8-14(29)7-18(30)23(20)39-26/h4-10H;3-10H,1H3;3-6H;3-10H;2-7H;2-11H;2-7H;2-10H;2-8,12H/b31-22-,33-25+;28-19+,30-24+;29-16-,31-21+;30-21-,32-26+;29-19+;30-24+;28-17+;27-18-,29-22+;26-17-,28-21+.
What are the key properties of (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile has a molecular weight of 5378.32 g/mol, XLogP of 24.07, 27 rotatable bonds, 0 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4-cyano-7-isocyanobenzimidazol-2-ylidene)methyl]-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyanophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-(4-cyano-2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]-2-[cyano(isocyano)methylidene]benzimidazole-4-carbonitrile;(2E)-2-[cyano(isocyano)methylidene]-5-[4-[(E)-cyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 159076843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).