4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile

C288H92F36N60O8S2 — CID 161487503

IUPAC4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile
SMILESN#CC(=C1C(=C(C#N)c2c(F)c(F)c(C#N)c(F)c2F)C1=C(C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F.N#Cc1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1C#N.[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(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-c2c(OC(F)(F)F)cc(C)cc21)-c1c(C)cc(OC(F)(F)F)cc1/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)c(C)cc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)c(OC(F)(F)F)cc1-3.[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\c2nc(C)cnc2-c2nc3c(nc21)/C(=C(/C#N)[N+]#[C-])c1nc(OC(F)(F)F)cnc1-3
InChIInChI=1S/C35H14F6N4O2.C34H14N4S2.C32H12N6.C31H14N4.C30F12N6.2C30H12F6N4O2.C26H9F3N6O.C22H5F3N10O.C18N12/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;1-35-25(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;31-19-10(4-46)20(32)26(38)16(25(19)37)7(1-43)13-14(8(2-44)17-27(39)21(33)11(5-47)22(34)28(17)40)15(13)9(3-45)18-29(41)23(35)12(6-48)24(36)30(18)42;1-13-5-15-16-7-17-18-9-25(41-29(31,32)33)26(42-30(34,35)36)10-22(18)28(24(12-38)40-4)21(17)8-20(16)27(23(11-37)39-3)19(15)6-14(13)2;1-13-5-20-26(22(11-37)39-3)18-10-17-16(9-19(18)28(20)24(6-13)42-30(34,35)36)25-14(2)7-15(41-29(31,32)33)8-21(25)27(17)23(12-38)40-4;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;1-8-6-30-18-14(32-8)12(9(4-26)28-2)16-20(18)35-21-17(34-16)13(10(5-27)29-3)15-19(21)31-7-11(33-15)36-22(23,24)25;19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18/h4-14H,1H3;3-16H;3-14H;4-14H,1H3;;2*5-10H,1-2H3;4-7,10-11H,1H3;6-7H,1H3;/b30-27+,31-28-;33-29-,34-30+;27-25-,28-26+;30-27-,31-28+;13-7-,14-8+,15-9-;27-23+,28-24+;26-22-,27-23+;22-20-,23-21+;12-9+,13-10-;
InChIKeyWFDXRHHXWLEUHU-XYXPPEFTSA-N
MW5268.38 g/mol
LogP68.57
Rot. Bonds14

About 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile

4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile (PubChem CID 161487503) has the molecular formula C288H92F36N60O8S2 and a molecular weight of 5268.38 g/mol. Its IUPAC name is 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile.

Molecular Properties

Compound Name4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile
PubChem CID161487503
Molecular FormulaC288H92F36N60O8S2
Molecular Weight5268.38 g/mol
Exact Mass5264.75
IUPAC Name4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile
SMILESN#CC(=C1C(=C(C#N)c2c(F)c(F)c(C#N)c(F)c2F)C1=C(C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F.N#Cc1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1C#N.[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(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-c2c(OC(F)(F)F)cc(C)cc21)-c1c(C)cc(OC(F)(F)F)cc1/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)c(C)cc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)c(OC(F)(F)F)cc1-3.[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\c2nc(C)cnc2-c2nc3c(nc21)/C(=C(/C#N)[N+]#[C-])c1nc(OC(F)(F)F)cnc1-3
InChIInChI=1S/C35H14F6N4O2.C34H14N4S2.C32H12N6.C31H14N4.C30F12N6.2C30H12F6N4O2.C26H9F3N6O.C22H5F3N10O.C18N12/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;1-35-25(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;31-19-10(4-46)20(32)26(38)16(25(19)37)7(1-43)13-14(8(2-44)17-27(39)21(33)11(5-47)22(34)28(17)40)15(13)9(3-45)18-29(41)23(35)12(6-48)24(36)30(18)42;1-13-5-15-16-7-17-18-9-25(41-29(31,32)33)26(42-30(34,35)36)10-22(18)28(24(12-38)40-4)21(17)8-20(16)27(23(11-37)39-3)19(15)6-14(13)2;1-13-5-20-26(22(11-37)39-3)18-10-17-16(9-19(18)28(20)24(6-13)42-30(34,35)36)25-14(2)7-15(41-29(31,32)33)8-21(25)27(17)23(12-38)40-4;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;1-8-6-30-18-14(32-8)12(9(4-26)28-2)16-20(18)35-21-17(34-16)13(10(5-27)29-3)15-19(21)31-7-11(33-15)36-22(23,24)25;19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18/h4-14H,1H3;3-16H;3-14H;4-14H,1H3;;2*5-10H,1-2H3;4-7,10-11H,1H3;6-7H,1H3;/b30-27+,31-28-;33-29-,34-30+;27-25-,28-26+;30-27-,31-28+;13-7-,14-8+,15-9-;27-23+,28-24+;26-22-,27-23+;22-20-,23-21+;12-9+,13-10-;
InChIKeyWFDXRHHXWLEUHU-XYXPPEFTSA-N
XLogP68.57
TPSA1015.96 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds14
Heavy Atoms394
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005268.38
LogP ≤ 568.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile?
The IUPAC name of 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile (CID 161487503) is 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile.
What is the SMILES notation for 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile?
The canonical SMILES for 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile is N#CC(=C1C(=C(C#N)c2c(F)c(F)c(C#N)c(F)c2F)C1=C(C#N)c1c(F)c(F)c(C#N)c(F)c1F)c1c(F)c(F)c(C#N)c(F)c1F.N#Cc1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1C#N.[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(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-c2c(OC(F)(F)F)cc(C)cc21)-c1c(C)cc(OC(F)(F)F)cc1/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)c(C)cc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)c(OC(F)(F)F)cc1-3.[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\c2nc(C)cnc2-c2nc3c(nc21)/C(=C(/C#N)[N+]#[C-])c1nc(OC(F)(F)F)cnc1-3.
What is the InChIKey of 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile?
The InChIKey is WFDXRHHXWLEUHU-XYXPPEFTSA-N. The full InChI is InChI=1S/C35H14F6N4O2.C34H14N4S2.C32H12N6.C31H14N4.C30F12N6.2C30H12F6N4O2.C26H9F3N6O.C22H5F3N10O.C18N12/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;1-35-25(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;31-19-10(4-46)20(32)26(38)16(25(19)37)7(1-43)13-14(8(2-44)17-27(39)21(33)11(5-47)22(34)28(17)40)15(13)9(3-45)18-29(41)23(35)12(6-48)24(36)30(18)42;1-13-5-15-16-7-17-18-9-25(41-29(31,32)33)26(42-30(34,35)36)10-22(18)28(24(12-38)40-4)21(17)8-20(16)27(23(11-37)39-3)19(15)6-14(13)2;1-13-5-20-26(22(11-37)39-3)18-10-17-16(9-19(18)28(20)24(6-13)42-30(34,35)36)25-14(2)7-15(41-29(31,32)33)8-21(25)27(17)23(12-38)40-4;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;1-8-6-30-18-14(32-8)12(9(4-26)28-2)16-20(18)35-21-17(34-16)13(10(5-27)29-3)15-19(21)31-7-11(33-15)36-22(23,24)25;19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18/h4-14H,1H3;3-16H;3-14H;4-14H,1H3;;2*5-10H,1-2H3;4-7,10-11H,1H3;6-7H,1H3;/b30-27+,31-28-;33-29-,34-30+;27-25-,28-26+;30-27-,31-28+;13-7-,14-8+,15-9-;27-23+,28-24+;26-22-,27-23+;22-20-,23-21+;12-9+,13-10-;.
What are the key properties of 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile?
4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile has a molecular weight of 5268.38 g/mol, XLogP of 68.57, 14 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;(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;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,3-dimethyl-7,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,6-dimethyl-4,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-10-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-[(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;(2Z)-2-[(14E)-14-[cyano(isocyano)methylidene]-7-methyl-17-(trifluoromethoxy)-2,5,8,12,16,19-hexazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-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;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile is sourced from PubChem (CID 161487503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).