(3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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

C319H144F28N36O — CID 172938646

About (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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

(3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 172938646) has the molecular formula C319H144F28N36O and a molecular weight of 5028.86 g/mol. Its IUPAC name is (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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.

Molecular Properties

• Compound Name: (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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: 172938646
• Molecular Formula: C319H144F28N36O
• Molecular Weight: 5028.86 g/mol
• Exact Mass: 5025.19
• IUPAC Name: (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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
• SMILES: [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(-c3ccc(C(F)(F)F)c(F)c3)ccc2-c2cc3cc4c(cc3cc21)-c1ccc(-c2ccc(C)c(F)c2)cc1/C4=C(/C#N)[N+]#[C-].[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(C#N)ccc2-c2ccc3c4c(ccc3c21)-c1ccc([N+]#[C-])cc1/C4=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2ccc3c4c(ccc3c21)-c1ccc(C)cc1/C4=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3ccc4cc5c(nc4c3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(F)ccc1-5.[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.[C-]#[N+]/N=c1\c2cc(-c3cc(C)cc(C)c3)ccc2c2c1ccc1c2ccc2/c(=N\C#N)c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c21
• InChI: InChI=1S/C46H22F6N4.C46H21F3N4O.C45H27F3N4.C44H19F5N4.C42H22F6N4.C32H13F3N4.C32H10F2N6.C32H10N6/c1-23-13-24(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;1-22-4-5-25(18-38(22)45)23-6-9-29-31-14-27-17-36-32(15-28(27)16-35(31)42(33(29)12-23)40(20-50)52-2)30-10-7-24(13-34(30)43(36)41(21-51)53-3)26-8-11-37(39(46)19-26)44(47,48)49;1-21-12-22(2)14-25(13-21)23-4-7-32-36(18-23)40(52-50-3)34-11-9-29-30(38(32)34)8-10-33-37(29)31-6-5-24(17-35(31)39(33)51-20-49)26-15-27(41(43,44)45)19-28(16-26)42(46,47)48;1-16-4-6-18-20-8-10-23-22(28(20)30(24(18)12-16)26(14-36)38-2)11-9-21-19-7-5-17(32(33,34)35)13-25(19)31(29(21)23)27(15-37)39-3;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;1-36-18-5-7-20-22-9-11-23-24(30(22)32(26(20)13-18)28(16-35)38-3)10-8-21-19-6-4-17(14-33)12-25(19)31(29(21)23)27(15-34)37-2/h5-20H,1-2H3;4-21H,1H3;5-22H,1-3H3;4-19H,1H3;4-19H,1-2H3;4-13H,1H3;3-12H;4-13H/b43-39-,44-40+;44-40+,45-41-;51-42+,52-43-;42-40+,43-41-;51-39+,52-40-;30-26+,31-27-;27-25-,28-26+;31-27-,32-28+
• InChIKey: HBQCGYJFHKNKSI-QIQGFVHCSA-N
• XLogP: 84.58
• TPSA: 510.61 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 384
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5028.86
LogP ≤ 5	84.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 172938646) is (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 [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(-c3ccc(C(F)(F)F)c(F)c3)ccc2-c2cc3cc4c(cc3cc21)-c1ccc(-c2ccc(C)c(F)c2)cc1/C4=C(/C#N)[N+]#[C-].[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(C#N)ccc2-c2ccc3c4c(ccc3c21)-c1ccc([N+]#[C-])cc1/C4=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2ccc3c4c(ccc3c21)-c1ccc(C)cc1/C4=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3ccc4cc5c(nc4c3nc21)/C(=C(\C#N)[N+]#[C-])c1cc(F)ccc1-5.[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.[C-]#[N+]/N=c1\c2cc(-c3cc(C)cc(C)c3)ccc2c2c1ccc1c2ccc2/c(=N\C#N)c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c21.

What is the InChIKey of (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 HBQCGYJFHKNKSI-QIQGFVHCSA-N. The full InChI is InChI=1S/C46H22F6N4.C46H21F3N4O.C45H27F3N4.C44H19F5N4.C42H22F6N4.C32H13F3N4.C32H10F2N6.C32H10N6/c1-23-13-24(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;1-22-4-5-25(18-38(22)45)23-6-9-29-31-14-27-17-36-32(15-28(27)16-35(31)42(33(29)12-23)40(20-50)52-2)30-10-7-24(13-34(30)43(36)41(21-51)53-3)26-8-11-37(39(46)19-26)44(47,48)49;1-21-12-22(2)14-25(13-21)23-4-7-32-36(18-23)40(52-50-3)34-11-9-29-30(38(32)34)8-10-33-37(29)31-6-5-24(17-35(31)39(33)51-20-49)26-15-27(41(43,44)45)19-28(16-26)42(46,47)48;1-16-4-6-18-20-8-10-23-22(28(20)30(24(18)12-16)26(14-36)38-2)11-9-21-19-7-5-17(32(33,34)35)13-25(19)31(29(21)23)27(15-37)39-3;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;1-36-18-5-7-20-22-9-11-23-24(30(22)32(26(20)13-18)28(16-35)38-3)10-8-21-19-6-4-17(14-33)12-25(19)31(29(21)23)27(15-34)37-2/h5-20H,1-2H3;4-21H,1H3;5-22H,1-3H3;4-19H,1H3;4-19H,1-2H3;4-13H,1H3;3-12H;4-13H/b43-39-,44-40+;44-40+,45-41-;51-42+,52-43-;42-40+,43-41-;51-39+,52-40-;30-26+,31-27-;27-25-,28-26+;31-27-,32-28+.

What are the key properties of (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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?

(3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 5028.86 g/mol, XLogP of 84.58, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,15E)-3,15-bis[cyano(isocyano)methylidene]-18-isocyanohexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6-carbonitrile;(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;[(21E)-6-[3,5-bis(trifluoromethyl)phenyl]-18-(3,5-dimethylphenyl)-21-isocyanoimino-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]cyanamide;(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;(2Z)-2-[(22E)-22-[cyano(isocyano)methylidene]-19-(3-fluoro-4-methylphenyl)-7-[3-fluoro-4-(trifluoromethyl)phenyl]-10-hexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaenylidene]-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-[(15Z)-15-[cyano(isocyano)methylidene]-6-methyl-18-(trifluoromethyl)-3-hexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaenylidene]-2-isocyanoacetonitrile;[(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 172938646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).