About (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide
(2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide (PubChem CID 172928021) has the molecular formula C388H205F33N34O8S
and a molecular weight of 6130.14 g/mol. Its IUPAC name is (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide.
Frequently Asked Questions
What is the IUPAC name of (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide?
The IUPAC name of (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide (CID 172928021) is (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide.
What is the SMILES notation for (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide?
The canonical SMILES for (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide is CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C4=C1C(=O)c2ccccc2C1=O)C(=C1C(=O)c2ccccc2C1=O)c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2c1ccc1c3c(ccc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cc(C)cc(C)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2cc3sc4cc5c(cc4c3cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cc(C)cc(C)c2)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2cc3oc4cc5c(cc4c3cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3ccc4cc5c(nc4c3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(F)ccc1-5.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3.[C-]#[N+]/N=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)-c1ccc(-c3ccc(C)cc3)cc1/C2=N\C#N.
What is the InChIKey of (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide?
The InChIKey is DRBIMKYFFZORJQ-ZCOFFEOYSA-N. The full InChI is InChI=1S/C75H63F3O4.C48H22F6N4S.C46H22F6N4.C46H21F3N4O.C45H27F3N4.C40H19F3N4O.C32H10F2N6.C28H10F4N4O.C28H11F3N4O/c1-4-6-8-10-12-18-36-74(37-19-13-11-9-7-5-2)64-42-56-50-34-30-47(45-26-24-44(3)25-27-45)38-60(50)66(68-70(79)52-20-14-15-21-53(52)71(68)80)62(56)40-58(64)59-41-63-57(43-65(59)74)51-35-31-48(46-28-32-49(33-29-46)75(76,77)78)39-61(51)67(63)69-72(81)54-22-16-17-23-55(54)73(69)82;1-23-9-24(2)11-27(10-23)25-5-7-31-33-19-43-35(17-39(33)45(37(31)14-25)41(21-55)57-3)36-18-40-34(20-44(36)59-43)32-8-6-26(15-38(32)46(40)42(22-56)58-4)28-12-29(47(49,50)51)16-30(13-28)48(52,53)54;1-23-13-24(2)15-27(14-23)25-5-7-33-37(18-25)43(39(21-53)55-3)35-11-9-32-31(41(33)35)10-12-36-42(32)34-8-6-26(19-38(34)44(36)40(22-54)56-4)28-16-29(45(47,48)49)20-30(17-28)46(50,51)52;1-24-4-6-25(7-5-24)27-10-14-30-32-20-42-34(18-38(32)44(36(30)16-27)40(22-50)52-2)35-19-39-33(21-43(35)54-42)31-15-11-28(17-37(31)45(39)41(23-51)53-3)26-8-12-29(13-9-26)46(47,48)49;1-24-5-7-25(8-6-24)27-11-15-30-32-21-40-34(19-38(32)42(51-23-49)36(30)17-27)35-20-39-33(22-41(35)44(40,2)3)31-16-12-28(18-37(31)43(39)52-50-4)26-9-13-29(14-10-26)45(46,47)48;1-22-4-6-23(7-5-22)25-10-14-28-30-18-31-29-15-11-26(24-8-12-27(13-9-24)48-40(41,42)43)17-33(29)39(37(21-45)47-3)35(31)19-34(30)38(32(28)16-25)36(20-44)46-2;1-37-25(13-35)27-21-11-17(33)5-7-19(21)23-9-15-3-4-16-10-24-20-8-6-18(34)12-22(20)28(26(14-36)38-2)32(24)40-30(16)29(15)39-31(23)27;1-13-4-6-15-17(8-13)23(21(11-33)35-2)19-10-20-24(22(12-34)36-3)18-9-14(37-28(30,31)32)5-7-16(18)26(20)27(29)25(15)19;1-14-4-6-16-18-10-19-17-7-5-15(36-28(29,30)31)9-21(17)27(25(13-33)35-3)23(19)11-22(18)26(20(16)8-14)24(12-32)34-2/h14-17,20-35,38-43H,4-13,18-19,36-37H2,1-3H3;5-20H,1-2H3;5-20H,1-2H3;4-21H,1H3;5-22H,1-3H3;4-19H,1H3;3-12H;4-10H,1H3;4-11H,1H3/b;45-41+,46-42-;43-39-,44-40+;44-40+,45-41-;51-42+,52-43-;38-36+,39-37-;27-25-,28-26+;23-21+,24-22-;26-24+,27-25-.
What are the key properties of (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide?
(2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide has a molecular weight of 6130.14 g/mol, XLogP of 104.33, 29 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(21Z)-18-[3,5-bis(trifluoromethyl)phenyl]-21-[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-9-hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-22-[3,5-bis(trifluoromethyl)phenyl]-25-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)-15-thiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,23-difluoro-3,28-diazaheptacyclo[15.11.0.02,14.04,12.06,11.019,27.020,25]octacosa-1(28),2,4(12),6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(25Z)-25-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;2-[25-(1,3-dioxoinden-2-ylidene)-8-(4-methylphenyl)-15,15-dioctyl-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]indene-1,3-dione;[(25Z)-25-isocyanoimino-15,15-dimethyl-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-5-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenylidene]cyanamide is sourced from PubChem (CID 172928021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).