(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide

C434H158F32N98 — CID 172917987

About (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide

(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide (PubChem CID 172917987) has the molecular formula C434H158F32N98 and a molecular weight of 7352.66 g/mol. Its IUPAC name is (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide.

Molecular Properties

• Compound Name: (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide
• PubChem CID: 172917987
• Molecular Formula: C434H158F32N98
• Molecular Weight: 7352.66 g/mol
• Exact Mass: 7347.49
• IUPAC Name: (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide
• SMILES: [C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2nc3c(nc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccc(C)cc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2nc3cc4nc5c(nc4cc3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccc(F)cc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(F)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2nc3c(F)c4nc5c(nc4c(F)c3nc21)-c1ccc(F)cc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccccc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc3cc4cc5c(nc4cc3nc21)/C(=N/C#N)c1ccccc1-5.[C-]#[N+]/N=C1\c2cc(-c3ccc(C)cc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2c2nc3/c(=N/[N+]#[C-])c4cc(-c5cccc(C)c5)ccc4c3nc12.[C-]#[N+]/N=c1\c2cc(C)ccc2c2nc3cc4nc5/c(=N/C#N)c6cc(C(F)(F)F)ccc6c5cc4cc3nc12.[C-]#[N+]/N=c1\c2cc(F)ccc2c2nc3c(F)c4nc5/c(=N/C#N)c6cc(F)ccc6c5nc4c(F)c3nc12.[C-]#[N+]/N=c1\c2cc(F)ccc2c2nc3cc4nc5/c(=N/C#N)c6cc(F)ccc6c5cc4cc3nc12.[C-]#[N+]/N=c1\c2ccccc2c2nc3cc4nc5/c(=N/C#N)c6ccccc6c5cc4cc3nc12
• InChI: InChI=1S/C38H17F3N6.C36H17F3N6.C34H17F3N6.C33H12F3N7.C32H11F3N8.2C31H9F2N7.C31H11N7.C30H6F4N8.C29H12F3N7.C29H11N7.C27H9F2N7.C27H11N7.C26H6F4N8/c1-20-5-4-6-22(15-20)24-10-14-27-29(17-24)33(31(19-43)45-3)37-35(27)47-36-32(30(18-42)44-2)28-16-23(9-13-26(28)34(36)46-37)21-7-11-25(12-8-21)38(39,40)41;1-19-4-6-20(7-5-19)23-11-15-26-28(17-23)33(45-42-3)35-32(26)43-34-30(29(18-40)41-2)27-16-22(10-14-25(27)31(34)44-35)21-8-12-24(13-9-21)36(37,38)39;1-18-5-4-6-20(15-18)22-10-14-25-27(17-22)31(43-39-3)33-29(25)41-32-28(40-33)24-13-9-21(16-26(24)30(32)42-38-2)19-7-11-23(12-8-19)34(35,36)37;1-15-4-6-19-20(8-15)29(27(14-38)40-3)32-31(19)42-25-12-23-16(10-24(25)43-32)9-22-18-7-5-17(33(34,35)36)11-21(18)28(30(22)41-23)26(13-37)39-2;1-14-4-6-16-18(8-14)26(24(12-36)38-2)30-28(16)40-20-10-21-23(11-22(20)42-30)43-31-27(25(13-37)39-3)19-9-15(32(33,34)35)5-7-17(19)29(31)41-21;1-36-25(12-34)27-19-9-15(32)3-5-17(19)21-7-14-8-23-24(11-22(14)38-29(21)27)39-30-18-6-4-16(33)10-20(18)28(31(30)40-23)26(13-35)37-2;1-36-25(12-34)27-19-9-15(32)3-5-17(19)21-7-14-8-23-24(11-22(14)38-29(21)27)40-31-28(26(13-35)37-2)20-10-16(33)4-6-18(20)30(31)39-23;1-34-25(14-32)27-18-8-4-3-7-17(18)21-11-16-12-23-24(13-22(16)36-29(21)27)37-30-20-10-6-5-9-19(20)28(31(30)38-23)26(15-33)35-2;1-37-17(9-35)19-15-7-11(31)3-5-13(15)23-25(19)41-29-21(33)28-30(22(34)27(29)39-23)42-26-20(18(10-36)38-2)16-8-12(32)4-6-14(16)24(26)40-28;1-13-3-5-17-18(7-13)27(39-34-2)28-25(17)37-23-11-21-14(9-22(23)38-28)8-19-16-6-4-15(29(30,31)32)10-20(16)24(35-12-33)26(19)36-21;1-32-24(13-30)25-17-7-3-5-9-19(17)27-29(25)36-23-12-21-15(11-22(23)35-27)10-20-16-6-2-4-8-18(16)26(33-14-31)28(20)34-21;1-31-36-26-19-9-14(29)3-5-16(19)24-27(26)35-21-7-12-6-17-15-4-2-13(28)8-18(15)23(32-11-30)25(17)33-20(12)10-22(21)34-24;1-29-34-26-18-9-5-4-8-17(18)24-27(26)33-21-11-14-10-19-15-6-2-3-7-16(15)23(30-13-28)25(19)31-20(14)12-22(21)32-24;1-32-38-20-14-7-10(28)3-5-12(14)19-26(20)37-24-16(30)21-23(15(29)22(24)35-19)36-25-17(33-8-31)13-6-9(27)2-4-11(13)18(25)34-21/h4-17H,1H3;4-17H,1H3;4-17H,1H3;4-12H,1H3;4-11H,1H3;2*3-11H;3-13H;3-8H;3-11H,1H3;2-12H;2-10H;2-12H;2-7H/b32-30-,33-31+;30-29-,45-33+;42-30-,43-31+;28-26-,29-27+;26-24+,27-25-;3*27-25-,28-26+;19-17-,20-18+;35-24+,39-27+;25-24+,33-26+;32-23+,36-26+;30-23+,34-26+;33-17+,38-20+
• InChIKey: YSDAXGGXROTFAA-BLCUCWCMSA-N
• XLogP: 94.74
• TPSA: 1289.57 Ų
• H-Bond Acceptors: 75
• Rotatable Bonds: 6
• Heavy Atoms: 564
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	7352.66
LogP ≤ 5	94.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide?

The IUPAC name of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide (CID 172917987) is (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide.

What is the SMILES notation for (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide?

The canonical SMILES for (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide is [C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2nc3c(nc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccc(C)cc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2nc3cc4nc5c(nc4cc3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccc(F)cc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3cc4nc5c(nc4cc3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(F)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2nc3c(F)c4nc5c(nc4c(F)c3nc21)-c1ccc(F)cc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3cc4nc5c(nc4cc3nc21)-c1ccccc1/C5=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2ccccc2-c2nc3cc4cc5c(nc4cc3nc21)/C(=N/C#N)c1ccccc1-5.[C-]#[N+]/N=C1\c2cc(-c3ccc(C)cc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2c2nc3/c(=N/[N+]#[C-])c4cc(-c5cccc(C)c5)ccc4c3nc12.[C-]#[N+]/N=c1\c2cc(C)ccc2c2nc3cc4nc5/c(=N/C#N)c6cc(C(F)(F)F)ccc6c5cc4cc3nc12.[C-]#[N+]/N=c1\c2cc(F)ccc2c2nc3c(F)c4nc5/c(=N/C#N)c6cc(F)ccc6c5nc4c(F)c3nc12.[C-]#[N+]/N=c1\c2cc(F)ccc2c2nc3cc4nc5/c(=N/C#N)c6cc(F)ccc6c5cc4cc3nc12.[C-]#[N+]/N=c1\c2ccccc2c2nc3cc4nc5/c(=N/C#N)c6ccccc6c5cc4cc3nc12.

What is the InChIKey of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide?

The InChIKey is YSDAXGGXROTFAA-BLCUCWCMSA-N. The full InChI is InChI=1S/C38H17F3N6.C36H17F3N6.C34H17F3N6.C33H12F3N7.C32H11F3N8.2C31H9F2N7.C31H11N7.C30H6F4N8.C29H12F3N7.C29H11N7.C27H9F2N7.C27H11N7.C26H6F4N8/c1-20-5-4-6-22(15-20)24-10-14-27-29(17-24)33(31(19-43)45-3)37-35(27)47-36-32(30(18-42)44-2)28-16-23(9-13-26(28)34(36)46-37)21-7-11-25(12-8-21)38(39,40)41;1-19-4-6-20(7-5-19)23-11-15-26-28(17-23)33(45-42-3)35-32(26)43-34-30(29(18-40)41-2)27-16-22(10-14-25(27)31(34)44-35)21-8-12-24(13-9-21)36(37,38)39;1-18-5-4-6-20(15-18)22-10-14-25-27(17-22)31(43-39-3)33-29(25)41-32-28(40-33)24-13-9-21(16-26(24)30(32)42-38-2)19-7-11-23(12-8-19)34(35,36)37;1-15-4-6-19-20(8-15)29(27(14-38)40-3)32-31(19)42-25-12-23-16(10-24(25)43-32)9-22-18-7-5-17(33(34,35)36)11-21(18)28(30(22)41-23)26(13-37)39-2;1-14-4-6-16-18(8-14)26(24(12-36)38-2)30-28(16)40-20-10-21-23(11-22(20)42-30)43-31-27(25(13-37)39-3)19-9-15(32(33,34)35)5-7-17(19)29(31)41-21;1-36-25(12-34)27-19-9-15(32)3-5-17(19)21-7-14-8-23-24(11-22(14)38-29(21)27)39-30-18-6-4-16(33)10-20(18)28(31(30)40-23)26(13-35)37-2;1-36-25(12-34)27-19-9-15(32)3-5-17(19)21-7-14-8-23-24(11-22(14)38-29(21)27)40-31-28(26(13-35)37-2)20-10-16(33)4-6-18(20)30(31)39-23;1-34-25(14-32)27-18-8-4-3-7-17(18)21-11-16-12-23-24(13-22(16)36-29(21)27)37-30-20-10-6-5-9-19(20)28(31(30)38-23)26(15-33)35-2;1-37-17(9-35)19-15-7-11(31)3-5-13(15)23-25(19)41-29-21(33)28-30(22(34)27(29)39-23)42-26-20(18(10-36)38-2)16-8-12(32)4-6-14(16)24(26)40-28;1-13-3-5-17-18(7-13)27(39-34-2)28-25(17)37-23-11-21-14(9-22(23)38-28)8-19-16-6-4-15(29(30,31)32)10-20(16)24(35-12-33)26(19)36-21;1-32-24(13-30)25-17-7-3-5-9-19(17)27-29(25)36-23-12-21-15(11-22(23)35-27)10-20-16-6-2-4-8-18(16)26(33-14-31)28(20)34-21;1-31-36-26-19-9-14(29)3-5-16(19)24-27(26)35-21-7-12-6-17-15-4-2-13(28)8-18(15)23(32-11-30)25(17)33-20(12)10-22(21)34-24;1-29-34-26-18-9-5-4-8-17(18)24-27(26)33-21-11-14-10-19-15-6-2-3-7-16(15)23(30-13-28)25(19)31-20(14)12-22(21)32-24;1-32-38-20-14-7-10(28)3-5-12(14)19-26(20)37-24-16(30)21-23(15(29)22(24)35-19)36-25-17(33-8-31)13-6-9(27)2-4-11(13)18(25)34-21/h4-17H,1H3;4-17H,1H3;4-17H,1H3;4-12H,1H3;4-11H,1H3;2*3-11H;3-13H;3-8H;3-11H,1H3;2-12H;2-10H;2-12H;2-7H/b32-30-,33-31+;30-29-,45-33+;42-30-,43-31+;28-26-,29-27+;26-24+,27-25-;3*27-25-,28-26+;19-17-,20-18+;35-24+,39-27+;25-24+,33-26+;32-23+,36-26+;30-23+,34-26+;33-17+,38-20+.

What are the key properties of (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide?

(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide has a molecular weight of 7352.66 g/mol, XLogP of 94.74, 6 rotatable bonds, 0 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21(26),22,24-tridecaen-20-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-9,23-difluoro-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-17-(3-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-2,9,16,23-tetrafluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;[(12E)-12-[cyano(isocyano)methylidene]-4,14,18-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),21,23,25-tridecaen-20-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]-2-isocyanoacetonitrile;[(12E)-9,23-difluoro-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;10-N,20-N-diisocyano-7-(3-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,20-diimine;[(12E)-12-isocyanoimino-9-methyl-23-(trifluoromethyl)-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-26-ylidene]cyanamide;[(12E)-12-isocyanoimino-4,14,28-triazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6,8,10,13,15,17,19(27),20,22,24-tridecaen-26-ylidene]cyanamide;(2Z)-2-isocyano-2-[(20E)-20-isocyanoimino-17-(4-methylphenyl)-7-[4-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]acetonitrile;[(26E)-2,9,16,23-tetrafluoro-26-isocyanoimino-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3,5(13),6(11),7,9,14,16,18,20(25),21,23,27-tridecaen-12-ylidene]cyanamide is sourced from PubChem (CID 172917987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).