(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile

C296H133F35N32O6 — CID 157380722

IUPAC(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile
SMILES[C-]#[N+]/C(=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1ccc1c2-c2ccc(-c3ccc(C)cc3)cc2/C1=C(\C)C#N)C(F)(F)F.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(C(F)(F)F)c3)ccc2-c2nc3c(nc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cc(C)cc(F)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1ccc1c2-c2ccc(-c3ccc(C)cc3)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)c(F)c3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)c(F)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2c1cc1c(c2OCC(F)(F)F)-c2ccc(-c3ccc(C)cc3)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3
InChIInChI=1S/C42H20F6N4O2.C40H22F6N2.C40H17F5N4O.C40H19F3N4O.C40H19F3N4.C38H15F5N6.C28H10F4N4O.C28H11F3N4O/c1-22-4-6-23(7-5-22)25-10-14-28-30(16-25)36(34(19-49)51-2)32-18-33-37(35(20-50)52-3)31-17-26(24-8-12-27(13-9-24)54-42(46,47)48)11-15-29(31)39(33)40(38(28)32)53-21-41(43,44)45;1-21-4-6-23(7-5-21)25-10-14-28-32(18-25)34(22(2)20-47)30-16-17-31-36(35(28)30)29-15-11-26(24-8-12-27(13-9-24)39(41,42)43)19-33(29)37(31)38(48-3)40(44,45)46;1-20-4-5-23(14-33(20)41)21-6-9-25-27-16-28-26-10-7-22(24-8-11-37(34(42)15-24)50-40(43,44)45)13-30(26)39(36(19-47)49-3)32(28)17-31(27)38(29(25)12-21)35(18-46)48-2;1-22-4-6-23(7-5-22)25-10-14-28-30-18-31-29-15-11-26(24-8-12-27(13-9-24)48-40(41,42)43)17-33(29)39(37(21-45)47-3)35(31)19-34(30)38(32(28)16-25)36(20-44)46-2;1-22-4-6-23(7-5-22)25-10-14-28-32(18-25)36(34(20-44)46-2)30-16-17-31-37(35(21-45)47-3)33-19-26(11-15-29(33)39(31)38(28)30)24-8-12-27(13-9-24)40(41,42)43;1-18-8-21(11-24(39)9-18)19-4-6-26-28(13-19)32(30(16-44)46-2)36-34(26)48-35-27-7-5-20(22-10-23(38(41,42)43)15-25(40)12-22)14-29(27)33(37(35)49-36)31(17-45)47-3;1-13-4-6-15-17(8-13)23(21(11-33)35-2)19-10-20-24(22(12-34)36-3)18-9-14(37-28(30,31)32)5-7-16(18)26(20)27(29)25(15)19;1-14-4-6-16-18-10-19-17-7-5-15(36-28(29,30)31)9-21(17)27(25(13-33)35-3)23(19)11-22(18)26(20(16)8-14)24(12-32)34-2/h4-18H,21H2,1H3;4-19H,1-2H3;4-17H,1H3;4-19H,1H3;4-19H,1H3;4-15H,1H3;4-10H,1H3;4-11H,1H3/b36-34+,37-35-;34-22+,38-37+;38-35+,39-36-;38-36+,39-37-;36-34-,37-35+;32-30+,33-31-;23-21+,24-22-;26-24+,27-25-
InChIKeyBKVVJGAQJODRCO-DPZDRFEASA-N
MW4898.47 g/mol
LogP80.04
Rot. Bonds19

About (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile

(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile (PubChem CID 157380722) has the molecular formula C296H133F35N32O6 and a molecular weight of 4898.47 g/mol. Its IUPAC name is (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile.

Molecular Properties

Compound Name(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile
PubChem CID157380722
Molecular FormulaC296H133F35N32O6
Molecular Weight4898.47 g/mol
Exact Mass4895.05
IUPAC Name(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile
SMILES[C-]#[N+]/C(=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1ccc1c2-c2ccc(-c3ccc(C)cc3)cc2/C1=C(\C)C#N)C(F)(F)F.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(C(F)(F)F)c3)ccc2-c2nc3c(nc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cc(C)cc(F)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1ccc1c2-c2ccc(-c3ccc(C)cc3)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)c(F)c3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)c(F)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2c1cc1c(c2OCC(F)(F)F)-c2ccc(-c3ccc(C)cc3)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3
InChIInChI=1S/C42H20F6N4O2.C40H22F6N2.C40H17F5N4O.C40H19F3N4O.C40H19F3N4.C38H15F5N6.C28H10F4N4O.C28H11F3N4O/c1-22-4-6-23(7-5-22)25-10-14-28-30(16-25)36(34(19-49)51-2)32-18-33-37(35(20-50)52-3)31-17-26(24-8-12-27(13-9-24)54-42(46,47)48)11-15-29(31)39(33)40(38(28)32)53-21-41(43,44)45;1-21-4-6-23(7-5-21)25-10-14-28-32(18-25)34(22(2)20-47)30-16-17-31-36(35(28)30)29-15-11-26(24-8-12-27(13-9-24)39(41,42)43)19-33(29)37(31)38(48-3)40(44,45)46;1-20-4-5-23(14-33(20)41)21-6-9-25-27-16-28-26-10-7-22(24-8-11-37(34(42)15-24)50-40(43,44)45)13-30(26)39(36(19-47)49-3)32(28)17-31(27)38(29(25)12-21)35(18-46)48-2;1-22-4-6-23(7-5-22)25-10-14-28-30-18-31-29-15-11-26(24-8-12-27(13-9-24)48-40(41,42)43)17-33(29)39(37(21-45)47-3)35(31)19-34(30)38(32(28)16-25)36(20-44)46-2;1-22-4-6-23(7-5-22)25-10-14-28-32(18-25)36(34(20-44)46-2)30-16-17-31-37(35(21-45)47-3)33-19-26(11-15-29(33)39(31)38(28)30)24-8-12-27(13-9-24)40(41,42)43;1-18-8-21(11-24(39)9-18)19-4-6-26-28(13-19)32(30(16-44)46-2)36-34(26)48-35-27-7-5-20(22-10-23(38(41,42)43)15-25(40)12-22)14-29(27)33(37(35)49-36)31(17-45)47-3;1-13-4-6-15-17(8-13)23(21(11-33)35-2)19-10-20-24(22(12-34)36-3)18-9-14(37-28(30,31)32)5-7-16(18)26(20)27(29)25(15)19;1-14-4-6-16-18-10-19-17-7-5-15(36-28(29,30)31)9-21(17)27(25(13-33)35-3)23(19)11-22(18)26(20(16)8-14)24(12-32)34-2/h4-18H,21H2,1H3;4-19H,1-2H3;4-17H,1H3;4-19H,1H3;4-19H,1H3;4-15H,1H3;4-10H,1H3;4-11H,1H3/b36-34+,37-35-;34-22+,38-37+;38-35+,39-36-;38-36+,39-37-;36-34-,37-35+;32-30+,33-31-;23-21+,24-22-;26-24+,27-25-
InChIKeyBKVVJGAQJODRCO-DPZDRFEASA-N
XLogP80.04
TPSA503.41 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004898.47
LogP ≤ 580.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile with MolForge

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Related Compounds

(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-7,17-bis[4-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile
CID 58012991
[(20E)-20-isocyanoimino-7,17-bis[4-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]cyanamide
CID 58013023
(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-7,17-bis[3-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile
CID 58013035
10-N,20-N-diisocyano-7,17-bis[3-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-10,20-diimine
CID 58013047
2-[20-(Dicyanomethylidene)-17-[4-(fluoromethoxy)phenyl]-7-(4-methoxyphenyl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]propanedinitrile
CID 87431299
[20-Cyanoimino-7-[4-(fluoromethoxy)phenyl]-17-(4-methoxyphenyl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-10-ylidene]cyanamide
CID 87431300
2-[20-(Dicyanomethylidene)-7,17-bis[4-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]propanedinitrile
CID 90382214
[20-Cyanoimino-7,17-bis[4-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]cyanamide
CID 90382219
2-[20-(Dicyanomethylidene)-7,17-bis[3-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]propanedinitrile
CID 90382254
[20-Cyanoimino-7,17-bis[3-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]cyanamide
CID 90382259
2-[20-(Dicyanomethylidene)-7-[3-(difluoromethoxy)phenyl]-17-[3-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]propanedinitrile
CID 117848080
[(20Z)-20-isocyanoimino-7,17-bis[4-(trifluoromethoxy)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]cyanamide
CID 123889680

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile?
The IUPAC name of (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile (CID 157380722) is (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile.
What is the SMILES notation for (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile?
The canonical SMILES for (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile is [C-]#[N+]/C(=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1ccc1c2-c2ccc(-c3ccc(C)cc3)cc2/C1=C(\C)C#N)C(F)(F)F.[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(C(F)(F)F)c3)ccc2-c2nc3c(nc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cc(C)cc(F)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)cc3)ccc2-c2c1ccc1c2-c2ccc(-c3ccc(C)cc3)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)c(F)c3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)c(F)c2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2c1cc1c(c2OCC(F)(F)F)-c2ccc(-c3ccc(C)cc3)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3.[C-]#[N+]/C(C#N)=C1/c2cc(OC(F)(F)F)ccc2-c2c1cc1c(c2F)-c2ccc(C)cc2/C1=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(C)ccc2-c2cc3c(cc21)/C(=C(/C#N)[N+]#[C-])c1cc(OC(F)(F)F)ccc1-3.
What is the InChIKey of (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile?
The InChIKey is BKVVJGAQJODRCO-DPZDRFEASA-N. The full InChI is InChI=1S/C42H20F6N4O2.C40H22F6N2.C40H17F5N4O.C40H19F3N4O.C40H19F3N4.C38H15F5N6.C28H10F4N4O.C28H11F3N4O/c1-22-4-6-23(7-5-22)25-10-14-28-30(16-25)36(34(19-49)51-2)32-18-33-37(35(20-50)52-3)31-17-26(24-8-12-27(13-9-24)54-42(46,47)48)11-15-29(31)39(33)40(38(28)32)53-21-41(43,44)45;1-21-4-6-23(7-5-21)25-10-14-28-32(18-25)34(22(2)20-47)30-16-17-31-36(35(28)30)29-15-11-26(24-8-12-27(13-9-24)39(41,42)43)19-33(29)37(31)38(48-3)40(44,45)46;1-20-4-5-23(14-33(20)41)21-6-9-25-27-16-28-26-10-7-22(24-8-11-37(34(42)15-24)50-40(43,44)45)13-30(26)39(36(19-47)49-3)32(28)17-31(27)38(29(25)12-21)35(18-46)48-2;1-22-4-6-23(7-5-22)25-10-14-28-30-18-31-29-15-11-26(24-8-12-27(13-9-24)48-40(41,42)43)17-33(29)39(37(21-45)47-3)35(31)19-34(30)38(32(28)16-25)36(20-44)46-2;1-22-4-6-23(7-5-22)25-10-14-28-32(18-25)36(34(20-44)46-2)30-16-17-31-37(35(21-45)47-3)33-19-26(11-15-29(33)39(31)38(28)30)24-8-12-27(13-9-24)40(41,42)43;1-18-8-21(11-24(39)9-18)19-4-6-26-28(13-19)32(30(16-44)46-2)36-34(26)48-35-27-7-5-20(22-10-23(38(41,42)43)15-25(40)12-22)14-29(27)33(37(35)49-36)31(17-45)47-3;1-13-4-6-15-17(8-13)23(21(11-33)35-2)19-10-20-24(22(12-34)36-3)18-9-14(37-28(30,31)32)5-7-16(18)26(20)27(29)25(15)19;1-14-4-6-16-18-10-19-17-7-5-15(36-28(29,30)31)9-21(17)27(25(13-33)35-3)23(19)11-22(18)26(20(16)8-14)24(12-32)34-2/h4-18H,21H2,1H3;4-19H,1-2H3;4-17H,1H3;4-19H,1H3;4-19H,1H3;4-15H,1H3;4-10H,1H3;4-11H,1H3/b36-34+,37-35-;34-22+,38-37+;38-35+,39-36-;38-36+,39-37-;36-34-,37-35+;32-30+,33-31-;23-21+,24-22-;26-24+,27-25-.
What are the key properties of (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile?
(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile has a molecular weight of 4898.47 g/mol, XLogP of 80.04, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-7-(3-fluoro-5-methylphenyl)-17-[3-fluoro-5-(trifluoromethyl)phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-10-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-5-fluoro-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethoxy)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(14Z)-14-[cyano(isocyano)methylidene]-6-(4-methylphenyl)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]-2-isocyanoacetonitrile;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(14Z)-6-(4-methylphenyl)-14-(2,2,2-trifluoro-1-isocyanoethylidene)-17-[4-(trifluoromethyl)phenyl]-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaenylidene]propanenitrile is sourced from PubChem (CID 157380722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).