5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide

C438H202F22N60O4 — CID 172955092

IUPAC5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)nc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)nc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c([N+]#[C-])c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(C#N)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc([N+]#[C-])c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C#N)c5)ccc4c3cc12
InChIInChI=1S/2C40H19F3N4O.C40H14F2N6.C40H16N6.C38H17F3N6.2C36H19F3N4O.C36H14F2N6.C36H16N6.C34H17F3N6.C33H16N4.C29H16N4/c1-22-4-6-23(7-5-22)25-10-14-28-30-18-35-31(19-34(30)38(32(28)16-25)36(20-44)46-2)29-15-11-26(17-33(29)39(35)37(21-45)47-3)24-8-12-27(13-9-24)48-40(41,42)43;1-22-6-4-7-23(14-22)25-10-12-28-30-18-35-31(19-34(30)38(32(28)16-25)36(20-44)46-2)29-13-11-26(17-33(29)39(35)37(21-45)47-3)24-8-5-9-27(15-24)48-40(41,42)43;1-46-36-15-24(7-11-35(36)42)23-5-9-27-29-17-32-28(16-33(29)40(31(27)14-23)38(20-45)48-3)26-8-4-22(13-30(26)39(32)37(19-44)47-2)21-6-10-34(41)25(12-21)18-43;1-44-28-9-5-8-25(15-28)27-11-13-30-32-19-35-31(18-36(32)40(34(30)17-27)38(22-43)46-3)29-12-10-26(24-7-4-6-23(14-24)20-41)16-33(29)39(35)37(21-42)45-2;1-20-4-5-23(18-46-20)21-6-9-25-27-14-32-28(15-31(27)36(29(25)12-21)33(16-42)44-2)26-10-7-22(13-30(26)37(32)34(17-43)45-3)24-8-11-35(47-19-24)38(39,40)41;1-20-3-5-21(6-4-20)24-10-14-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-24)26-13-9-23(15-30(26)34(32)42-19-40)22-7-11-25(12-8-22)44-36(37,38)39;1-20-5-3-6-21(13-20)23-9-12-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-23)26-11-10-24(15-30(26)34(32)42-19-40)22-7-4-8-25(14-22)44-36(37,38)39;1-41-34-14-22(6-10-33(34)38)21-4-8-25-27-15-30-26(16-31(27)36(44-42-2)29(25)13-21)24-7-3-20(12-28(24)35(30)43-18-40)19-5-9-32(37)23(11-19)17-39;1-39-26-8-4-7-23(14-26)25-10-12-28-30-17-33-29(18-34(30)36(42-40-2)32(28)16-25)27-11-9-24(15-31(27)35(33)41-20-38)22-6-3-5-21(13-22)19-37;1-18-3-4-21(15-40-18)20-6-9-24-26-13-29-25(14-30(26)33(43-39-2)28(24)12-20)23-8-5-19(11-27(23)32(29)42-17-38)22-7-10-31(41-16-22)34(35,36)37;1-19-8-10-20(11-9-19)21-12-13-23-26-16-28-25(15-29(26)33(27(23)14-21)31(18-35)37-3)22-6-4-5-7-24(22)32(28)30(17-34)36-2;1-17-7-9-18(10-8-17)19-11-12-21-24-14-26-23(15-27(24)29(33-31-2)25(21)13-19)20-5-3-4-6-22(20)28(26)32-16-30/h2*4-19H,1H3;4-17H;4-19H;4-15,18-19H,1H3;2*3-18H,1H3;3-16H;3-18H;3-16H,1H3;4-16H,1H3;3-15H,1H3/b2*38-36+,39-37-;2*39-37-,40-38+;36-33+,37-34-;2*42-34+,43-35+;43-35+,44-36+;41-35+,42-36+;42-32+,43-33+;32-30-,33-31+;32-28+,33-29+
InChIKeyAYSWVLHHNGWFCQ-YRGIWKPOSA-N
MW6786.81 g/mol
LogP106.66
Rot. Bonds26

About 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide

5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 172955092) has the molecular formula C438H202F22N60O4 and a molecular weight of 6786.81 g/mol. Its IUPAC name is 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID172955092
Molecular FormulaC438H202F22N60O4
Molecular Weight6786.81 g/mol
Exact Mass6781.71
IUPAC Name5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)nc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)nc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c([N+]#[C-])c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(C#N)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc([N+]#[C-])c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C#N)c5)ccc4c3cc12
InChIInChI=1S/2C40H19F3N4O.C40H14F2N6.C40H16N6.C38H17F3N6.2C36H19F3N4O.C36H14F2N6.C36H16N6.C34H17F3N6.C33H16N4.C29H16N4/c1-22-4-6-23(7-5-22)25-10-14-28-30-18-35-31(19-34(30)38(32(28)16-25)36(20-44)46-2)29-15-11-26(17-33(29)39(35)37(21-45)47-3)24-8-12-27(13-9-24)48-40(41,42)43;1-22-6-4-7-23(14-22)25-10-12-28-30-18-35-31(19-34(30)38(32(28)16-25)36(20-44)46-2)29-13-11-26(17-33(29)39(35)37(21-45)47-3)24-8-5-9-27(15-24)48-40(41,42)43;1-46-36-15-24(7-11-35(36)42)23-5-9-27-29-17-32-28(16-33(29)40(31(27)14-23)38(20-45)48-3)26-8-4-22(13-30(26)39(32)37(19-44)47-2)21-6-10-34(41)25(12-21)18-43;1-44-28-9-5-8-25(15-28)27-11-13-30-32-19-35-31(18-36(32)40(34(30)17-27)38(22-43)46-3)29-12-10-26(24-7-4-6-23(14-24)20-41)16-33(29)39(35)37(21-42)45-2;1-20-4-5-23(18-46-20)21-6-9-25-27-14-32-28(15-31(27)36(29(25)12-21)33(16-42)44-2)26-10-7-22(13-30(26)37(32)34(17-43)45-3)24-8-11-35(47-19-24)38(39,40)41;1-20-3-5-21(6-4-20)24-10-14-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-24)26-13-9-23(15-30(26)34(32)42-19-40)22-7-11-25(12-8-22)44-36(37,38)39;1-20-5-3-6-21(13-20)23-9-12-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-23)26-11-10-24(15-30(26)34(32)42-19-40)22-7-4-8-25(14-22)44-36(37,38)39;1-41-34-14-22(6-10-33(34)38)21-4-8-25-27-15-30-26(16-31(27)36(44-42-2)29(25)13-21)24-7-3-20(12-28(24)35(30)43-18-40)19-5-9-32(37)23(11-19)17-39;1-39-26-8-4-7-23(14-26)25-10-12-28-30-17-33-29(18-34(30)36(42-40-2)32(28)16-25)27-11-9-24(15-31(27)35(33)41-20-38)22-6-3-5-21(13-22)19-37;1-18-3-4-21(15-40-18)20-6-9-24-26-13-29-25(14-30(26)33(43-39-2)28(24)12-20)23-8-5-19(11-27(23)32(29)42-17-38)22-7-10-31(41-16-22)34(35,36)37;1-19-8-10-20(11-9-19)21-12-13-23-26-16-28-25(15-29(26)33(27(23)14-21)31(18-35)37-3)22-6-4-5-7-24(22)32(28)30(17-34)36-2;1-17-7-9-18(10-8-17)19-11-12-21-24-14-26-23(15-27(24)29(33-31-2)25(21)13-19)20-5-3-4-6-22(20)28(26)32-16-30/h2*4-19H,1H3;4-17H;4-19H;4-15,18-19H,1H3;2*3-18H,1H3;3-16H;3-18H;3-16H,1H3;4-16H,1H3;3-15H,1H3/b2*38-36+,39-37-;2*39-37-,40-38+;36-33+,37-34-;2*42-34+,43-35+;43-35+,44-36+;41-35+,42-36+;42-32+,43-33+;32-30-,33-31+;32-28+,33-29+
InChIKeyAYSWVLHHNGWFCQ-YRGIWKPOSA-N
XLogP106.66
TPSA856.10 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds26
Heavy Atoms524
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006786.81
LogP ≤ 5106.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 172955092) is 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide is [C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(C(F)(F)F)nc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)nc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(C#N)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc([N+]#[C-])c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(OC(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccccc2-c2cc3c(cc21)-c1ccc(-c2ccc(C)cc2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4ccccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(C)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c([N+]#[C-])c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(C#N)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc([N+]#[C-])c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C#N)c5)ccc4c3cc12.
What is the InChIKey of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is AYSWVLHHNGWFCQ-YRGIWKPOSA-N. The full InChI is InChI=1S/2C40H19F3N4O.C40H14F2N6.C40H16N6.C38H17F3N6.2C36H19F3N4O.C36H14F2N6.C36H16N6.C34H17F3N6.C33H16N4.C29H16N4/c1-22-4-6-23(7-5-22)25-10-14-28-30-18-35-31(19-34(30)38(32(28)16-25)36(20-44)46-2)29-15-11-26(17-33(29)39(35)37(21-45)47-3)24-8-12-27(13-9-24)48-40(41,42)43;1-22-6-4-7-23(14-22)25-10-12-28-30-18-35-31(19-34(30)38(32(28)16-25)36(20-44)46-2)29-13-11-26(17-33(29)39(35)37(21-45)47-3)24-8-5-9-27(15-24)48-40(41,42)43;1-46-36-15-24(7-11-35(36)42)23-5-9-27-29-17-32-28(16-33(29)40(31(27)14-23)38(20-45)48-3)26-8-4-22(13-30(26)39(32)37(19-44)47-2)21-6-10-34(41)25(12-21)18-43;1-44-28-9-5-8-25(15-28)27-11-13-30-32-19-35-31(18-36(32)40(34(30)17-27)38(22-43)46-3)29-12-10-26(24-7-4-6-23(14-24)20-41)16-33(29)39(35)37(21-42)45-2;1-20-4-5-23(18-46-20)21-6-9-25-27-14-32-28(15-31(27)36(29(25)12-21)33(16-42)44-2)26-10-7-22(13-30(26)37(32)34(17-43)45-3)24-8-11-35(47-19-24)38(39,40)41;1-20-3-5-21(6-4-20)24-10-14-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-24)26-13-9-23(15-30(26)34(32)42-19-40)22-7-11-25(12-8-22)44-36(37,38)39;1-20-5-3-6-21(13-20)23-9-12-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-23)26-11-10-24(15-30(26)34(32)42-19-40)22-7-4-8-25(14-22)44-36(37,38)39;1-41-34-14-22(6-10-33(34)38)21-4-8-25-27-15-30-26(16-31(27)36(44-42-2)29(25)13-21)24-7-3-20(12-28(24)35(30)43-18-40)19-5-9-32(37)23(11-19)17-39;1-39-26-8-4-7-23(14-26)25-10-12-28-30-17-33-29(18-34(30)36(42-40-2)32(28)16-25)27-11-9-24(15-31(27)35(33)41-20-38)22-6-3-5-21(13-22)19-37;1-18-3-4-21(15-40-18)20-6-9-24-26-13-29-25(14-30(26)33(43-39-2)28(24)12-20)23-8-5-19(11-27(23)32(29)42-17-38)22-7-10-31(41-16-22)34(35,36)37;1-19-8-10-20(11-9-19)21-12-13-23-26-16-28-25(15-29(26)33(27(23)14-21)31(18-35)37-3)22-6-4-5-7-24(22)32(28)30(17-34)36-2;1-17-7-9-18(10-8-17)19-11-12-21-24-14-26-23(15-27(24)29(33-31-2)25(21)13-19)20-5-3-4-6-22(20)28(26)32-16-30/h2*4-19H,1H3;4-17H;4-19H;4-15,18-19H,1H3;2*3-18H,1H3;3-16H;3-18H;3-16H,1H3;4-16H,1H3;3-15H,1H3/b2*38-36+,39-37-;2*39-37-,40-38+;36-33+,37-34-;2*42-34+,43-35+;43-35+,44-36+;41-35+,42-36+;42-32+,43-33+;32-30-,33-31+;32-28+,33-29+.
What are the key properties of 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide?
5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 6786.81 g/mol, XLogP of 106.66, 26 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;3-[(6E,12Z)-6,12-bis[cyano(isocyano)methylidene]-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-2-yl]benzonitrile;[(6E)-2-(3-cyano-4-fluorophenyl)-8-(4-fluoro-3-isocyanophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-2-(3-cyanophenyl)-6-isocyanoimino-8-(3-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(6-methyl-3-pyridinyl)-2-[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 172955092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).