(9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide

C336H115F23N54O3S26 — CID 172917291

About (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide

(9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide (PubChem CID 172917291) has the molecular formula C336H115F23N54O3S26 and a molecular weight of 6226.69 g/mol. Its IUPAC name is (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide.

Molecular Properties

• Compound Name: (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide
• PubChem CID: 172917291
• Molecular Formula: C336H115F23N54O3S26
• Molecular Weight: 6226.69 g/mol
• Exact Mass: 6220.29
• IUPAC Name: (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide
• SMILES: Cc1ccc(-c2ccc3c(c2)/c(=N/C#N)c2sc4c(sc5/c(=N\C#N)c6cc(-c7ccc(C(F)(F)F)cc7)ccc6c54)c23)cc1.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccs3)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cccs2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc([N+]#[C-])ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)cnc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)cnc1-3.[C-]#[N+]/N=c1\c2cc(C)ccc2c2c1sc1c2sc2/c(=N/C#N)c3cc(OC(F)(F)F)ccc3c21.[C-]#[N+]/N=c1\c2cc(C)ccc2c2c1sc1c2sc2/c(=N\C#N)c3cc(C(F)(F)F)ccc3c21.[C-]#[N+]/N=c1\c2cc(F)ccc2c2c1sc1c2sc2/c(=N/C#N)c3cc(F)ccc3c21.[C-]#[N+]/N=c1\c2cc([N+]#[C-])ccc2c2c1sc1c2sc2/c(=N/C#N)c3cc(C#N)ccc3c21.[C-]#[N+]/N=c1\c2ccccc2c2c1sc1c2sc2/c(=N/C#N)c3ccccc3c21
• InChI: InChI=1S/C40H17F3N4S2.C36H17F3N4S2.C34H12N4S4.C28H9F3N4OS2.C28H9F3N4S2.C28H6N6S2.C26H7F3N6OS2.C24H9F3N4OS2.C24H9F3N4S2.C24H6N6S2.C22H6F2N4S2.C22H8N4S2/c1-20-4-6-21(7-5-20)23-10-14-26-28(16-23)32(30(18-44)46-2)36-34(26)38-39(48-36)35-27-15-11-24(22-8-12-25(13-9-22)40(41,42)43)17-29(27)33(37(35)49-38)31(19-45)47-3;1-18-2-4-19(5-3-18)21-8-12-24-26(14-21)30(42-16-40)32-28(24)34-35(44-32)29-25-13-9-22(15-27(25)31(43-17-41)33(29)45-34)20-6-10-23(11-7-20)36(37,38)39;1-37-23(15-35)27-21-13-17(25-5-3-11-39-25)7-9-19(21)29-31(27)41-34-30-20-10-8-18(26-6-4-12-40-26)14-22(20)28(24(16-36)38-2)32(30)42-33(29)34;1-12-4-6-14-16(8-12)20(18(10-32)34-2)24-22(14)26-27(37-24)23-15-7-5-13(36-28(29,30)31)9-17(15)21(25(23)38-26)19(11-33)35-3;1-12-4-6-14-16(8-12)20(18(10-32)34-2)24-22(14)26-27(36-24)23-15-7-5-13(28(29,30)31)9-17(15)21(25(23)37-26)19(11-33)35-3;1-32-14-5-7-16-18(9-14)22(20(12-31)34-3)26-24(16)28-27(36-26)23-15-6-4-13(10-29)8-17(15)21(25(23)35-28)19(11-30)33-2;1-10-4-12-16(14(6-30)32-2)22-18(20(12)34-8-10)24-25(37-22)19-21-13(5-11(9-35-21)36-26(27,28)29)17(23(19)38-24)15(7-31)33-3;1-10-3-5-12-14(7-10)19(31-29-2)21-17(12)23-22(34-21)16-13-6-4-11(32-24(25,26)27)8-15(13)18(30-9-28)20(16)33-23;1-10-3-5-12-14(7-10)19(31-29-2)21-17(12)23-22(33-21)16-13-6-4-11(24(25,26)27)8-15(13)18(30-9-28)20(16)32-23;1-27-12-4-6-14-16(8-12)20(30-28-2)22-18(14)24-23(32-22)17-13-5-3-11(9-25)7-15(13)19(29-10-26)21(17)31-24;1-26-28-18-14-7-10(24)3-5-12(14)16-20(18)30-21-15-11-4-2-9(23)6-13(11)17(27-8-25)19(15)29-22(16)21;1-24-26-18-14-9-5-3-7-12(14)16-20(18)28-21-15-11-6-2-4-8-13(11)17(25-10-23)19(15)27-22(16)21/h4-17H,1H3;2-15H,1H3;3-14H;4-9H,1H3;4-9H,1H3;4-9H;4-5,8-9H,1H3;3-8H,1H3;3-8H,1H3;3-8H;2-7H;2-9H/b32-30+,33-31-;42-30-,43-31-;27-23-,28-24+;2*20-18+,21-19-;21-19-,22-20+;16-14+,17-15-;30-18+,31-19+;30-18-,31-19+;29-19+,30-20+;27-17+,28-18+;25-17+,26-18+
• InChIKey: KWUWQHFQIKVBMM-BFIBGKKUSA-N
• XLogP: 95.99
• TPSA: 784.22 Ų
• H-Bond Acceptors: 64
• Rotatable Bonds: 9
• Heavy Atoms: 442
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6226.69
LogP ≤ 5	95.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide?

The IUPAC name of (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide (CID 172917291) is (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide.

What is the SMILES notation for (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide?

The canonical SMILES for (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide is Cc1ccc(-c2ccc3c(c2)/c(=N/C#N)c2sc4c(sc5/c(=N\C#N)c6cc(-c7ccc(C(F)(F)F)cc7)ccc6c54)c23)cc1.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccs3)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cccs2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(C#N)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc([N+]#[C-])ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)cnc2-c2c1sc1c3c(sc21)/C(=C(\C#N)[N+]#[C-])c1cc(C)cnc1-3.[C-]#[N+]/N=c1\c2cc(C)ccc2c2c1sc1c2sc2/c(=N/C#N)c3cc(OC(F)(F)F)ccc3c21.[C-]#[N+]/N=c1\c2cc(C)ccc2c2c1sc1c2sc2/c(=N\C#N)c3cc(C(F)(F)F)ccc3c21.[C-]#[N+]/N=c1\c2cc(F)ccc2c2c1sc1c2sc2/c(=N/C#N)c3cc(F)ccc3c21.[C-]#[N+]/N=c1\c2cc([N+]#[C-])ccc2c2c1sc1c2sc2/c(=N/C#N)c3cc(C#N)ccc3c21.[C-]#[N+]/N=c1\c2ccccc2c2c1sc1c2sc2/c(=N/C#N)c3ccccc3c21.

What is the InChIKey of (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide?

The InChIKey is KWUWQHFQIKVBMM-BFIBGKKUSA-N. The full InChI is InChI=1S/C40H17F3N4S2.C36H17F3N4S2.C34H12N4S4.C28H9F3N4OS2.C28H9F3N4S2.C28H6N6S2.C26H7F3N6OS2.C24H9F3N4OS2.C24H9F3N4S2.C24H6N6S2.C22H6F2N4S2.C22H8N4S2/c1-20-4-6-21(7-5-20)23-10-14-26-28(16-23)32(30(18-44)46-2)36-34(26)38-39(48-36)35-27-15-11-24(22-8-12-25(13-9-22)40(41,42)43)17-29(27)33(37(35)49-38)31(19-45)47-3;1-18-2-4-19(5-3-18)21-8-12-24-26(14-21)30(42-16-40)32-28(24)34-35(44-32)29-25-13-9-22(15-27(25)31(43-17-41)33(29)45-34)20-6-10-23(11-7-20)36(37,38)39;1-37-23(15-35)27-21-13-17(25-5-3-11-39-25)7-9-19(21)29-31(27)41-34-30-20-10-8-18(26-6-4-12-40-26)14-22(20)28(24(16-36)38-2)32(30)42-33(29)34;1-12-4-6-14-16(8-12)20(18(10-32)34-2)24-22(14)26-27(37-24)23-15-7-5-13(36-28(29,30)31)9-17(15)21(25(23)38-26)19(11-33)35-3;1-12-4-6-14-16(8-12)20(18(10-32)34-2)24-22(14)26-27(36-24)23-15-7-5-13(28(29,30)31)9-17(15)21(25(23)37-26)19(11-33)35-3;1-32-14-5-7-16-18(9-14)22(20(12-31)34-3)26-24(16)28-27(36-26)23-15-6-4-13(10-29)8-17(15)21(25(23)35-28)19(11-30)33-2;1-10-4-12-16(14(6-30)32-2)22-18(20(12)34-8-10)24-25(37-22)19-21-13(5-11(9-35-21)36-26(27,28)29)17(23(19)38-24)15(7-31)33-3;1-10-3-5-12-14(7-10)19(31-29-2)21-17(12)23-22(34-21)16-13-6-4-11(32-24(25,26)27)8-15(13)18(30-9-28)20(16)33-23;1-10-3-5-12-14(7-10)19(31-29-2)21-17(12)23-22(33-21)16-13-6-4-11(24(25,26)27)8-15(13)18(30-9-28)20(16)32-23;1-27-12-4-6-14-16(8-12)20(30-28-2)22-18(14)24-23(32-22)17-13-5-3-11(9-25)7-15(13)19(29-10-26)21(17)31-24;1-26-28-18-14-7-10(24)3-5-12(14)16-20(18)30-21-15-11-4-2-9(23)6-13(11)17(27-8-25)19(15)29-22(16)21;1-24-26-18-14-9-5-3-7-12(14)16-20(18)28-21-15-11-6-2-4-8-13(11)17(25-10-23)19(15)27-22(16)21/h4-17H,1H3;2-15H,1H3;3-14H;4-9H,1H3;4-9H,1H3;4-9H;4-5,8-9H,1H3;3-8H,1H3;3-8H,1H3;3-8H;2-7H;2-9H/b32-30+,33-31-;42-30-,43-31-;27-23-,28-24+;2*20-18+,21-19-;21-19-,22-20+;16-14+,17-15-;30-18+,31-19+;30-18-,31-19+;29-19+,30-20+;27-17+,28-18+;25-17+,26-18+.

What are the key properties of (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide?

(9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide has a molecular weight of 6226.69 g/mol, XLogP of 95.99, 9 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (9Z,20E)-9,20-bis[cyano(isocyano)methylidene]-17-isocyano-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaene-6-carbonitrile;[20-cyanoimino-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-6-cyano-17-isocyano-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-6,17-dithiophen-2-yl-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithia-4,15-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-6-methyl-17-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]-2-isocyanoacetonitrile;[(20E)-6,17-difluoro-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3,5,7,13(21),14,16,18-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethoxy)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide;[(20E)-20-isocyanoimino-17-methyl-6-(trifluoromethyl)-11,22-dithiahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-1(12),2(10),3(8),4,6,13(21),14(19),15,17-nonaen-9-ylidene]cyanamide is sourced from PubChem (CID 172917291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).