(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile

C258H105F10N37O3S2 — CID 158222162

IUPAC(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccs3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cccs2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2-c2ccc(OC(F)(F)F)cc2)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1cccnc21)-c1c(ccc2cccnc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2ncc(C)cc21)-c1ncc(OC(F)(F)F)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1ccc2ccccc2c1-3.[C-]#[N+]/C(C#N)=C1\c2cc3c(nc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(/C#N)[N+]#[C-]
InChIInChI=1S/C35H14F6N4O2.C34H14N4S2.C34H14N4.C33H15FN4.C33H13N5.C32H12N6.C31H14N4.C26H9F3N6O/c1-17-4-10-21-23(12-17)30(27(15-42)44-2)25-14-26-31(28(16-43)45-3)24-13-20(47-35(39,40)41)9-11-22(24)33(26)29(32(21)25)18-5-7-19(8-6-18)46-34(36,37)38;1-37-29(17-35)33-25-13-19(31-5-3-11-39-31)7-9-21(25)23-15-24-22-10-8-20(32-6-4-12-40-32)14-26(22)34(30(18-36)38-2)28(24)16-27(23)33;1-37-29(17-35)33-23-13-11-19-7-3-5-9-21(19)31(23)25-15-26-28(16-27(25)33)34(30(18-36)38-2)24-14-12-20-8-4-6-10-22(20)32(24)26;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(34)13-27(23)33(31(17-36)38-3)29(25)15-28(24)32(26(22)12-20)30(16-35)37-2;1-36-26(16-34)28-22-13-11-18-7-3-5-9-20(18)30(22)32-24(28)15-25-29(27(17-35)37-2)23-14-12-19-8-4-6-10-21(19)31(23)33(25)38-32;1-35-25(15-33)27-19-9-7-17-5-3-11-37-31(17)29(19)23-14-24-22(13-21(23)27)28(26(16-34)36-2)20-10-8-18-6-4-12-38-32(18)30(20)24;1-17-8-10-20-22-13-25-26(14-24(22)31(23(20)12-17)28(16-33)35-3)30(27(15-32)34-2)21-11-9-18-6-4-5-7-19(18)29(21)25;1-12-4-18-22(20(8-30)32-2)14-6-15-17(7-16(14)24(18)34-10-12)25-19(23(15)21(9-31)33-3)5-13(11-35-25)36-26(27,28)29/h4-14H,1H3;3-16H;3-16H;4-15H,1H3;3-15H;3-14H;4-14H,1H3;4-7,10-11H,1H3/b30-27+,31-28-;2*33-29-,34-30+;32-30+,33-31-;28-26-,29-27+;27-25-,28-26+;30-27-,31-28+;22-20-,23-21+
InChIKeyGDJFYHMSYNDZMQ-GBPAXQGMSA-N
MW4025.05 g/mol
LogP64.32
Rot. Bonds7

About (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile

(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile (PubChem CID 158222162) has the molecular formula C258H105F10N37O3S2 and a molecular weight of 4025.05 g/mol. Its IUPAC name is (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
PubChem CID158222162
Molecular FormulaC258H105F10N37O3S2
Molecular Weight4025.05 g/mol
Exact Mass4021.85
IUPAC Name(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccs3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cccs2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2-c2ccc(OC(F)(F)F)cc2)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1cccnc21)-c1c(ccc2cccnc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2ncc(C)cc21)-c1ncc(OC(F)(F)F)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1ccc2ccccc2c1-3.[C-]#[N+]/C(C#N)=C1\c2cc3c(nc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(/C#N)[N+]#[C-]
InChIInChI=1S/C35H14F6N4O2.C34H14N4S2.C34H14N4.C33H15FN4.C33H13N5.C32H12N6.C31H14N4.C26H9F3N6O/c1-17-4-10-21-23(12-17)30(27(15-42)44-2)25-14-26-31(28(16-43)45-3)24-13-20(47-35(39,40)41)9-11-22(24)33(26)29(32(21)25)18-5-7-19(8-6-18)46-34(36,37)38;1-37-29(17-35)33-25-13-19(31-5-3-11-39-31)7-9-21(25)23-15-24-22-10-8-20(32-6-4-12-40-32)14-26(22)34(30(18-36)38-2)28(24)16-27(23)33;1-37-29(17-35)33-23-13-11-19-7-3-5-9-21(19)31(23)25-15-26-28(16-27(25)33)34(30(18-36)38-2)24-14-12-20-8-4-6-10-22(20)32(24)26;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(34)13-27(23)33(31(17-36)38-3)29(25)15-28(24)32(26(22)12-20)30(16-35)37-2;1-36-26(16-34)28-22-13-11-18-7-3-5-9-20(18)30(22)32-24(28)15-25-29(27(17-35)37-2)23-14-12-19-8-4-6-10-21(19)31(23)33(25)38-32;1-35-25(15-33)27-19-9-7-17-5-3-11-37-31(17)29(19)23-14-24-22(13-21(23)27)28(26(16-34)36-2)20-10-8-18-6-4-12-38-32(18)30(20)24;1-17-8-10-20-22-13-25-26(14-24(22)31(23(20)12-17)28(16-33)35-3)30(27(15-32)34-2)21-11-9-18-6-4-5-7-19(18)29(21)25;1-12-4-18-22(20(8-30)32-2)14-6-15-17(7-16(14)24(18)34-10-12)25-19(23(15)21(9-31)33-3)5-13(11-35-25)36-26(27,28)29/h4-14H,1H3;3-16H;3-16H;4-15H,1H3;3-15H;3-14H;4-14H,1H3;4-7,10-11H,1H3/b30-27+,31-28-;2*33-29-,34-30+;32-30+,33-31-;28-26-,29-27+;27-25-,28-26+;30-27-,31-28+;22-20-,23-21+
InChIKeyGDJFYHMSYNDZMQ-GBPAXQGMSA-N
XLogP64.32
TPSA542.54 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds7
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004025.05
LogP ≤ 564.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile (CID 158222162) is (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=C1/c2cc(-c3cccs3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cccs2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(F)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2-c2ccc(OC(F)(F)F)cc2)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2c1ccc1cccnc21)-c1c(ccc2cccnc12)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc3c(cc2-c2ncc(C)cc21)-c1ncc(OC(F)(F)F)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1ccc2ccccc2c1-3.[C-]#[N+]/C(C#N)=C1\c2cc3c(nc2-c2c1ccc1ccccc21)-c1c(ccc2ccccc12)/C3=C(/C#N)[N+]#[C-].
What is the InChIKey of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
The InChIKey is GDJFYHMSYNDZMQ-GBPAXQGMSA-N. The full InChI is InChI=1S/C35H14F6N4O2.C34H14N4S2.C34H14N4.C33H15FN4.C33H13N5.C32H12N6.C31H14N4.C26H9F3N6O/c1-17-4-10-21-23(12-17)30(27(15-42)44-2)25-14-26-31(28(16-43)45-3)24-13-20(47-35(39,40)41)9-11-22(24)33(26)29(32(21)25)18-5-7-19(8-6-18)46-34(36,37)38;1-37-29(17-35)33-25-13-19(31-5-3-11-39-31)7-9-21(25)23-15-24-22-10-8-20(32-6-4-12-40-32)14-26(22)34(30(18-36)38-2)28(24)16-27(23)33;1-37-29(17-35)33-23-13-11-19-7-3-5-9-21(19)31(23)25-15-26-28(16-27(25)33)34(30(18-36)38-2)24-14-12-20-8-4-6-10-22(20)32(24)26;1-18-4-6-19(7-5-18)20-8-10-22-24-14-25-23-11-9-21(34)13-27(23)33(31(17-36)38-3)29(25)15-28(24)32(26(22)12-20)30(16-35)37-2;1-36-26(16-34)28-22-13-11-18-7-3-5-9-20(18)30(22)32-24(28)15-25-29(27(17-35)37-2)23-14-12-19-8-4-6-10-21(19)31(23)33(25)38-32;1-35-25(15-33)27-19-9-7-17-5-3-11-37-31(17)29(19)23-14-24-22(13-21(23)27)28(26(16-34)36-2)20-10-8-18-6-4-12-38-32(18)30(20)24;1-17-8-10-20-22-13-25-26(14-24(22)31(23(20)12-17)28(16-33)35-3)30(27(15-32)34-2)21-11-9-18-6-4-5-7-19(18)29(21)25;1-12-4-18-22(20(8-30)32-2)14-6-15-17(7-16(14)24(18)34-10-12)25-19(23(15)21(9-31)33-3)5-13(11-35-25)36-26(27,28)29/h4-14H,1H3;3-16H;3-16H;4-15H,1H3;3-15H;3-14H;4-14H,1H3;4-7,10-11H,1H3/b30-27+,31-28-;2*33-29-,34-30+;32-30+,33-31-;28-26-,29-27+;27-25-,28-26+;30-27-,31-28+;22-20-,23-21+.
What are the key properties of (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile?
(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile has a molecular weight of 4025.05 g/mol, XLogP of 64.32, 7 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-2-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-6,26-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5(10),6,8,11,15,19(28),20,22(27),23,25-tridecaen-14-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-dithiophen-2-ylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-8-fluoro-2-(4-methylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(18E)-18-[cyano(isocyano)methylidene]-14-heptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(16E)-16-[cyano(isocyano)methylidene]-19-methyl-12-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-5,19-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 158222162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).