(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile

C460H136F48N98O2 — CID 158023413

IUPAC(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile
SMILES[C-]#[N+]C(C#N)=C1C(c2cc(C)cc(C)c2)=C([N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C3C#N.[C-]#[N+]C(C#N)=C1C(c2cc(C)cc(C)c2)=C([N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C(C#N)=C1C(c2ccc(C)cc2F)=C([N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C(F)(F)F)cc1F)=C3C#N.[C-]#[N+]C(C#N)=C1C(c2ccc(C)cc2F)=C([N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C(F)(F)F)cc1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2c(F)cc([N+]#[C-])cc2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1c(F)cc(C#N)cc1F)=C3C#N.[C-]#[N+]C1=C(c2c(F)cc([N+]#[C-])cc2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1c(F)cc(C#N)cc1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2cc([N+]#[C-])cc([N+]#[C-])c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cc(C#N)cc(C#N)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])c(C)c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)c(C(F)(F)F)c1)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])c(C)c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)c(C(F)(F)F)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)cc1C(F)(F)F)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)cc1OC(F)(F)F)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)cc1C(F)(F)F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)cc1OC(F)(F)F)/C3=C(\C#N)[N+]#[C-]
InChIInChI=1S/2C36H14F6N6.2C36H11F3N8O.4C36H11F3N8.C36H8N10.2C34H11F5N6.2C34H6F4N8/c1-17-6-18(2)8-19(7-17)31-33(29(16-45)47-4)25-13-24-23(12-26(25)34(31)48-5)27(14-43)30(32(24)28(15-44)46-3)20-9-21(35(37,38)39)11-22(10-20)36(40,41)42;1-17-6-18(2)8-19(7-17)31-33(29(16-45)47-4)25-12-23-24(13-26(25)34(31)48-5)32(28(15-44)46-3)30(27(23)14-43)20-9-21(35(37,38)39)11-22(10-20)36(40,41)42;1-18-10-20(44-2)7-9-21(18)34-33(29(17-43)46-4)25-13-24-23(12-26(25)35(34)47-5)27(15-41)31(32(24)28(16-42)45-3)22-8-6-19(14-40)11-30(22)48-36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(29(17-43)46-4)25-12-23-24(13-26(25)35(34)47-5)32(28(16-42)45-3)31(27(23)15-41)22-8-6-19(14-40)11-30(22)48-36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(30(17-43)46-4)25-13-24-23(12-26(25)35(34)47-5)27(15-41)31(32(24)29(16-42)45-3)22-8-6-19(14-40)11-28(22)36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(30(17-43)46-4)25-12-23-24(13-26(25)35(34)47-5)32(29(16-42)45-3)31(27(23)15-41)22-8-6-19(14-40)11-28(22)36(37,38)39;1-18-10-19(8-9-28(18)44-2)32-34(30(17-43)46-4)24-13-23-22(12-25(24)35(32)47-5)26(15-41)31(33(23)29(16-42)45-3)20-6-7-21(14-40)27(11-20)36(37,38)39;1-18-10-19(8-9-28(18)44-2)32-34(30(17-43)46-4)24-12-22-23(13-25(24)35(32)47-5)33(29(16-42)45-3)31(26(22)15-41)20-6-7-21(14-40)27(11-20)36(37,38)39;1-42-23-9-22(10-24(11-23)43-2)33-35(31(18-41)45-4)27-13-26-25(12-28(27)36(33)46-5)29(16-39)32(34(26)30(17-40)44-3)21-7-19(14-37)6-20(8-21)15-38;1-16-5-7-19(25(35)9-16)32-31(28(15-42)44-3)22-12-21-20(11-23(22)33(32)45-4)24(13-40)29(30(21)27(14-41)43-2)18-8-6-17(10-26(18)36)34(37,38)39;1-16-5-7-19(25(35)9-16)32-31(28(15-42)44-3)22-11-20-21(12-23(22)33(32)45-4)30(27(14-41)43-2)29(24(20)13-40)18-8-6-17(10-26(18)36)34(37,38)39;1-43-16-7-24(37)32(25(38)8-16)33-29(27(14-42)45-3)19-10-18-17(9-20(19)34(33)46-4)21(12-40)30(28(18)26(13-41)44-2)31-22(35)5-15(11-39)6-23(31)36;1-43-16-7-24(37)32(25(38)8-16)33-29(27(14-42)45-3)19-9-17-18(10-20(19)34(33)46-4)28(26(13-41)44-2)30(21(17)12-40)31-22(35)5-15(11-39)6-23(31)36/h2*6-13H,1-2H3;2*6-13H,1H3;4*6-13H,1H3;6-13H;2*5-12H,1H3;2*5-10H/b2*32-28+,33-29?;2*32-28+,33-29-;2*32-29+,33-30-;2*33-29+,34-30-;34-30+,35-31-;2*30-27+,31-28?;2*28-26+,29-27-
InChIKeyFGIBWEJAONDSNH-AXPKMNAISA-N
MW7978.74 g/mol
LogP115.75
Rot. Bonds28

About (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile

(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile (PubChem CID 158023413) has the molecular formula C460H136F48N98O2 and a molecular weight of 7978.74 g/mol. Its IUPAC name is (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile.

Molecular Properties

Compound Name(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile
PubChem CID158023413
Molecular FormulaC460H136F48N98O2
Molecular Weight7978.74 g/mol
Exact Mass7973.28
IUPAC Name(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile
SMILES[C-]#[N+]C(C#N)=C1C(c2cc(C)cc(C)c2)=C([N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C3C#N.[C-]#[N+]C(C#N)=C1C(c2cc(C)cc(C)c2)=C([N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C(C#N)=C1C(c2ccc(C)cc2F)=C([N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C(F)(F)F)cc1F)=C3C#N.[C-]#[N+]C(C#N)=C1C(c2ccc(C)cc2F)=C([N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C(F)(F)F)cc1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2c(F)cc([N+]#[C-])cc2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1c(F)cc(C#N)cc1F)=C3C#N.[C-]#[N+]C1=C(c2c(F)cc([N+]#[C-])cc2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1c(F)cc(C#N)cc1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2cc([N+]#[C-])cc([N+]#[C-])c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cc(C#N)cc(C#N)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])c(C)c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)c(C(F)(F)F)c1)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])c(C)c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)c(C(F)(F)F)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)cc1C(F)(F)F)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)cc1OC(F)(F)F)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)cc1C(F)(F)F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)cc1OC(F)(F)F)/C3=C(\C#N)[N+]#[C-]
InChIInChI=1S/2C36H14F6N6.2C36H11F3N8O.4C36H11F3N8.C36H8N10.2C34H11F5N6.2C34H6F4N8/c1-17-6-18(2)8-19(7-17)31-33(29(16-45)47-4)25-13-24-23(12-26(25)34(31)48-5)27(14-43)30(32(24)28(15-44)46-3)20-9-21(35(37,38)39)11-22(10-20)36(40,41)42;1-17-6-18(2)8-19(7-17)31-33(29(16-45)47-4)25-12-23-24(13-26(25)34(31)48-5)32(28(15-44)46-3)30(27(23)14-43)20-9-21(35(37,38)39)11-22(10-20)36(40,41)42;1-18-10-20(44-2)7-9-21(18)34-33(29(17-43)46-4)25-13-24-23(12-26(25)35(34)47-5)27(15-41)31(32(24)28(16-42)45-3)22-8-6-19(14-40)11-30(22)48-36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(29(17-43)46-4)25-12-23-24(13-26(25)35(34)47-5)32(28(16-42)45-3)31(27(23)15-41)22-8-6-19(14-40)11-30(22)48-36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(30(17-43)46-4)25-13-24-23(12-26(25)35(34)47-5)27(15-41)31(32(24)29(16-42)45-3)22-8-6-19(14-40)11-28(22)36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(30(17-43)46-4)25-12-23-24(13-26(25)35(34)47-5)32(29(16-42)45-3)31(27(23)15-41)22-8-6-19(14-40)11-28(22)36(37,38)39;1-18-10-19(8-9-28(18)44-2)32-34(30(17-43)46-4)24-13-23-22(12-25(24)35(32)47-5)26(15-41)31(33(23)29(16-42)45-3)20-6-7-21(14-40)27(11-20)36(37,38)39;1-18-10-19(8-9-28(18)44-2)32-34(30(17-43)46-4)24-12-22-23(13-25(24)35(32)47-5)33(29(16-42)45-3)31(26(22)15-41)20-6-7-21(14-40)27(11-20)36(37,38)39;1-42-23-9-22(10-24(11-23)43-2)33-35(31(18-41)45-4)27-13-26-25(12-28(27)36(33)46-5)29(16-39)32(34(26)30(17-40)44-3)21-7-19(14-37)6-20(8-21)15-38;1-16-5-7-19(25(35)9-16)32-31(28(15-42)44-3)22-12-21-20(11-23(22)33(32)45-4)24(13-40)29(30(21)27(14-41)43-2)18-8-6-17(10-26(18)36)34(37,38)39;1-16-5-7-19(25(35)9-16)32-31(28(15-42)44-3)22-11-20-21(12-23(22)33(32)45-4)30(27(14-41)43-2)29(24(20)13-40)18-8-6-17(10-26(18)36)34(37,38)39;1-43-16-7-24(37)32(25(38)8-16)33-29(27(14-42)45-3)19-10-18-17(9-20(19)34(33)46-4)21(12-40)30(28(18)26(13-41)44-2)31-22(35)5-15(11-39)6-23(31)36;1-43-16-7-24(37)32(25(38)8-16)33-29(27(14-42)45-3)19-9-17-18(10-20(19)34(33)46-4)28(26(13-41)44-2)30(21(17)12-40)31-22(35)5-15(11-39)6-23(31)36/h2*6-13H,1-2H3;2*6-13H,1H3;4*6-13H,1H3;6-13H;2*5-12H,1H3;2*5-10H/b2*32-28+,33-29?;2*32-28+,33-29-;2*32-29+,33-30-;2*33-29+,34-30-;34-30+,35-31-;2*30-27+,31-28?;2*28-26+,29-27-
InChIKeyFGIBWEJAONDSNH-AXPKMNAISA-N
XLogP115.75
TPSA1397.81 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds28
Heavy Atoms608
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007978.74
LogP ≤ 5115.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile with MolForge

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Related Compounds

(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile
CID 158023418
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[3-cyano-4-(trifluoromethoxy)phenyl]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[3-cyano-4-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(3-isocyano-4-methylphenyl)-s-indacene-1-carbonitrile;bis(4-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-6-(3-isocyano-4-methylphenyl)-s-indacen-2-yl]benzene-1,2-dicarbonitrile)
CID 165093392
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[3-cyano-4-(trifluoromethoxy)phenyl]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[3-cyano-4-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(3-isocyano-4-methylphenyl)-s-indacene-1-carbonitrile;bis(4-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-6-(3-isocyano-4-methylphenyl)-s-indacen-2-yl]benzene-1,2-dicarbonitrile);(3E,5Z)-2-[4-cyano-3-(difluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,4-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile
CID 165103337
(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1,4-dicarbonitrile
CID 165032724
(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile
CID 158023414
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-5-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2-(4-cyanophenyl)-5-isocyano-6-(4-isocyanophenyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;4-[(3E,5E)-1-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-6-(3,4-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,2-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 165054826
5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile
CID 153489575
(3E)-3-[cyano(isocyano)methylidene]-2-[4-[(1Z)-1-[cyano(isocyano)methylidene]-3-isocyano-5-(trifluoromethoxy)inden-2-yl]-2,5-difluorophenyl]-6-methylindene-1-carbonitrile
CID 159019625
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyanophenyl)-7-isocyano-6-(4-isocyanophenyl)-s-indacene-1-carbonitrile
CID 153489524
(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[3-cyano-4-(trifluoromethyl)phenyl]-6-(3,5-dimethylphenyl)-4-fluoro-5-isocyano-s-indacene-1-carbonitrile
CID 165095298
(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-s-indacene-1,7-dicarbonitrile
CID 158868049
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis(4-methylphenyl)-s-indacene-1-carbonitrile
CID 161460886

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile?
The IUPAC name of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile (CID 158023413) is (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile.
What is the SMILES notation for (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile?
The canonical SMILES for (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile is [C-]#[N+]C(C#N)=C1C(c2cc(C)cc(C)c2)=C([N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C3C#N.[C-]#[N+]C(C#N)=C1C(c2cc(C)cc(C)c2)=C([N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C(C#N)=C1C(c2ccc(C)cc2F)=C([N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C(F)(F)F)cc1F)=C3C#N.[C-]#[N+]C(C#N)=C1C(c2ccc(C)cc2F)=C([N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C(F)(F)F)cc1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2c(F)cc([N+]#[C-])cc2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1c(F)cc(C#N)cc1F)=C3C#N.[C-]#[N+]C1=C(c2c(F)cc([N+]#[C-])cc2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1c(F)cc(C#N)cc1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2cc([N+]#[C-])cc([N+]#[C-])c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1cc(C#N)cc(C#N)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])c(C)c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)c(C(F)(F)F)c1)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])c(C)c2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)c(C(F)(F)F)c1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)cc1C(F)(F)F)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])C(c1ccc(C#N)cc1OC(F)(F)F)=C3C#N.[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)cc1C(F)(F)F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc([N+]#[C-])cc2C)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(C#N)cc1OC(F)(F)F)/C3=C(\C#N)[N+]#[C-].
What is the InChIKey of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile?
The InChIKey is FGIBWEJAONDSNH-AXPKMNAISA-N. The full InChI is InChI=1S/2C36H14F6N6.2C36H11F3N8O.4C36H11F3N8.C36H8N10.2C34H11F5N6.2C34H6F4N8/c1-17-6-18(2)8-19(7-17)31-33(29(16-45)47-4)25-13-24-23(12-26(25)34(31)48-5)27(14-43)30(32(24)28(15-44)46-3)20-9-21(35(37,38)39)11-22(10-20)36(40,41)42;1-17-6-18(2)8-19(7-17)31-33(29(16-45)47-4)25-12-23-24(13-26(25)34(31)48-5)32(28(15-44)46-3)30(27(23)14-43)20-9-21(35(37,38)39)11-22(10-20)36(40,41)42;1-18-10-20(44-2)7-9-21(18)34-33(29(17-43)46-4)25-13-24-23(12-26(25)35(34)47-5)27(15-41)31(32(24)28(16-42)45-3)22-8-6-19(14-40)11-30(22)48-36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(29(17-43)46-4)25-12-23-24(13-26(25)35(34)47-5)32(28(16-42)45-3)31(27(23)15-41)22-8-6-19(14-40)11-30(22)48-36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(30(17-43)46-4)25-13-24-23(12-26(25)35(34)47-5)27(15-41)31(32(24)29(16-42)45-3)22-8-6-19(14-40)11-28(22)36(37,38)39;1-18-10-20(44-2)7-9-21(18)34-33(30(17-43)46-4)25-12-23-24(13-26(25)35(34)47-5)32(29(16-42)45-3)31(27(23)15-41)22-8-6-19(14-40)11-28(22)36(37,38)39;1-18-10-19(8-9-28(18)44-2)32-34(30(17-43)46-4)24-13-23-22(12-25(24)35(32)47-5)26(15-41)31(33(23)29(16-42)45-3)20-6-7-21(14-40)27(11-20)36(37,38)39;1-18-10-19(8-9-28(18)44-2)32-34(30(17-43)46-4)24-12-22-23(13-25(24)35(32)47-5)33(29(16-42)45-3)31(26(22)15-41)20-6-7-21(14-40)27(11-20)36(37,38)39;1-42-23-9-22(10-24(11-23)43-2)33-35(31(18-41)45-4)27-13-26-25(12-28(27)36(33)46-5)29(16-39)32(34(26)30(17-40)44-3)21-7-19(14-37)6-20(8-21)15-38;1-16-5-7-19(25(35)9-16)32-31(28(15-42)44-3)22-12-21-20(11-23(22)33(32)45-4)24(13-40)29(30(21)27(14-41)43-2)18-8-6-17(10-26(18)36)34(37,38)39;1-16-5-7-19(25(35)9-16)32-31(28(15-42)44-3)22-11-20-21(12-23(22)33(32)45-4)30(27(14-41)43-2)29(24(20)13-40)18-8-6-17(10-26(18)36)34(37,38)39;1-43-16-7-24(37)32(25(38)8-16)33-29(27(14-42)45-3)19-10-18-17(9-20(19)34(33)46-4)21(12-40)30(28(18)26(13-41)44-2)31-22(35)5-15(11-39)6-23(31)36;1-43-16-7-24(37)32(25(38)8-16)33-29(27(14-42)45-3)19-9-17-18(10-20(19)34(33)46-4)28(26(13-41)44-2)30(21(17)12-40)31-22(35)5-15(11-39)6-23(31)36/h2*6-13H,1-2H3;2*6-13H,1H3;4*6-13H,1H3;6-13H;2*5-12H,1H3;2*5-10H/b2*32-28+,33-29?;2*32-28+,33-29-;2*32-29+,33-30-;2*33-29+,34-30-;34-30+,35-31-;2*30-27+,31-28?;2*28-26+,29-27-.
What are the key properties of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile?
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile has a molecular weight of 7978.74 g/mol, XLogP of 115.75, 28 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethoxy)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-7-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-2-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-2-methylphenyl)-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-[4-cyano-3-(trifluoromethyl)phenyl]-5-isocyano-6-(4-isocyano-3-methylphenyl)-s-indacene-1-carbonitrile;(3E)-3,5-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-7-isocyano-s-indacene-1-carbonitrile;(3E)-3,7-bis[cyano(isocyano)methylidene]-6-(2-fluoro-4-methylphenyl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-5-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E)-2-[3,5-bis(trifluoromethyl)phenyl]-3,7-bis[cyano(isocyano)methylidene]-6-(3,5-dimethylphenyl)-5-isocyano-s-indacene-1-carbonitrile;5-[(3E,5Z)-1-cyano-3,5-bis[cyano(isocyano)methylidene]-6-(3,5-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,3-dicarbonitrile;(3E,5Z)-2-(4-cyano-2,6-difluorophenyl)-3,5-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-7-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-2-(4-cyano-2,6-difluorophenyl)-3,7-bis[cyano(isocyano)methylidene]-6-(2,6-difluoro-4-isocyanophenyl)-5-isocyano-s-indacene-1-carbonitrile is sourced from PubChem (CID 158023413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).