[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide

C244H114F20N32O2 — CID 172940577

IUPAC[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccnc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccnc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(C(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccnc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccnc(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12
InChIInChI=1S/C40H17F5N4.C40H19F3N4.C36H17F5N4.C36H19F3N4.C36H14F2N6.C32H14F2N6.C24H14N4O2/c1-20-12-21(6-10-34(20)41)22-4-8-25-27-16-32-28(17-31(27)38(29(25)13-22)36(18-46)48-2)26-9-5-23(14-30(26)39(32)37(19-47)49-3)24-7-11-35(42)33(15-24)40(43,44)45;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)40(41,42)43;1-18-11-19(5-9-32(18)37)20-3-8-24-26-15-29-25(16-30(26)35(45-43-2)28(24)13-20)23-7-4-21(12-27(23)34(29)44-17-42)22-6-10-33(38)31(14-22)36(39,40)41;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)36(37,38)39;1-41-31(17-39)35-27-11-19(21-7-9-43-33(37)13-21)3-5-23(27)25-16-30-26(15-29(25)35)24-6-4-20(22-8-10-44-34(38)14-22)12-28(24)36(30)32(18-40)42-2;1-36-40-32-26-11-18(20-7-9-38-30(34)13-20)3-5-22(26)24-14-27-23(15-28(24)32)21-4-2-17(10-25(21)31(27)39-16-35)19-6-8-37-29(33)12-19;1-26-28-24-16-5-3-13(11-29)7-17(16)19-9-21-20(10-22(19)24)18-8-14(30-2)4-6-15(18)23(21)27-12-25/h4-17H,1H3;4-19H,1H3;3-16H,1H3;3-18H,1H3;3-16H;2-15H;3-10,29H,11H2,2H3/b2*38-36+,39-37-;44-34+,45-35+;42-34+,43-35+;35-31-,36-32+;39-31+,40-32+;27-23+,28-24+
InChIKeyUDLNLPRQFYJMLD-XEIJSEMCSA-N
MW3905.78 g/mol
LogP58.83
Rot. Bonds14

About [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide

[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide (PubChem CID 172940577) has the molecular formula C244H114F20N32O2 and a molecular weight of 3905.78 g/mol. Its IUPAC name is [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide.

Molecular Properties

Compound Name[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
PubChem CID172940577
Molecular FormulaC244H114F20N32O2
Molecular Weight3905.78 g/mol
Exact Mass3902.95
IUPAC Name[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
SMILES[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccnc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccnc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(C(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccnc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccnc(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12
InChIInChI=1S/C40H17F5N4.C40H19F3N4.C36H17F5N4.C36H19F3N4.C36H14F2N6.C32H14F2N6.C24H14N4O2/c1-20-12-21(6-10-34(20)41)22-4-8-25-27-16-32-28(17-31(27)38(29(25)13-22)36(18-46)48-2)26-9-5-23(14-30(26)39(32)37(19-47)49-3)24-7-11-35(42)33(15-24)40(43,44)45;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)40(41,42)43;1-18-11-19(5-9-32(18)37)20-3-8-24-26-15-29-25(16-30(26)35(45-43-2)28(24)13-20)23-7-4-21(12-27(23)34(29)44-17-42)22-6-10-33(38)31(14-22)36(39,40)41;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)36(37,38)39;1-41-31(17-39)35-27-11-19(21-7-9-43-33(37)13-21)3-5-23(27)25-16-30-26(15-29(25)35)24-6-4-20(22-8-10-44-34(38)14-22)12-28(24)36(30)32(18-40)42-2;1-36-40-32-26-11-18(20-7-9-38-30(34)13-20)3-5-22(26)24-14-27-23(15-28(24)32)21-4-2-17(10-25(21)31(27)39-16-35)19-6-8-37-29(33)12-19;1-26-28-24-16-5-3-13(11-29)7-17(16)19-9-21-20(10-22(19)24)18-8-14(30-2)4-6-15(18)23(21)27-12-25/h4-17H,1H3;4-19H,1H3;3-16H,1H3;3-18H,1H3;3-16H;2-15H;3-10,29H,11H2,2H3/b2*38-36+,39-37-;44-34+,45-35+;42-34+,43-35+;35-31-,36-32+;39-31+,40-32+;27-23+,28-24+
InChIKeyUDLNLPRQFYJMLD-XEIJSEMCSA-N
XLogP58.83
TPSA461.40 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003905.78
LogP ≤ 558.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide with MolForge

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Related Compounds

1-[3-[3,5-Bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-4-cyclohexylisoquinoline;bis(1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline);1-[3-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]-4-cyclohexylisoquinoline;1-[3-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[4-[3-(4-tert-butylphenyl)-5-(4-propan-2-ylphenyl)phenoxy]benzene-6-id-1-yl]isoquinoline;hexakis(iridium);pentane-2,4-diol
CID 157059438
CID 157566422
CID 157566422
(3Z)-3-[cyano(isocyano)methylidene]-2-[(9Z)-9-[cyano(isocyano)methylidene]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-2-yl]-1-isocyanoindene-5-carbonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethoxy)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(3Z)-3-[cyano(isocyano)methylidene]-1-isocyano-5-(trifluoromethyl)inden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[2-[(1E)-1-[cyano(isocyano)methylidene]-4,5,6,7-tetrafluoro-3-isocyanoinden-2-yl]-7-(3,4,5,6-tetrafluoro-2-pyridinyl)fluoren-9-ylidene]-2-isocyanoacetonitrile
CID 157764349
2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-4,8-bis(4-cyanophenyl)-2,6-difluoro-7-isocyano-s-indacen-1-ylidene]propanedinitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-bis[3-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]propanedinitrile;2-[3-cyano-5-(diisocyanomethylidene)-2,6-difluoro-7-isocyano-4,8-dipyridin-2-yl-s-indacen-1-ylidene]propanedinitrile
CID 157770375
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;2-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 157803903
(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-4,8-bis(4-cyanophenyl)-2,6-difluoro-5-isocyano-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2,6-difluoro-5-isocyano-4,8-diphenyl-s-indacene-1-carbonitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-bis[3-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]propanedinitrile;2-[(5Z)-3-cyano-5-[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-4,8-dipyridin-2-yl-s-indacen-1-ylidene]propanedinitrile
CID 157988264
2',7'-bis(2-methylbutoxy)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-bis(trifluoromethyl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];2',7'-difluorospiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];tetrakis(iridium);2'-(2-methylbutyl)-7'-pentan-2-ylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 158071499
(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
CID 158148647
CID 158789276
CID 158789276
8,13-Bis(3-fluorophenyl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8,13-bis(6-methoxynaphthalen-2-yl)-5-naphthalen-2-yl-6,10-diphenylbenzo[a]tetracene;8-(3-methylphenyl)-5-naphthalen-2-yl-6,10-diphenyl-13-[3-(trifluoromethyl)phenyl]benzo[a]tetracene;2-[5-naphthalen-2-yl-6,10-diphenyl-8-(6-pyridin-4-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-4-ylpyridine
CID 159260804
1,2-Dimethyl-6-(2-methylphenyl)-5-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)pyrazin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-3-(4-methylphenyl)-5-phenylpyrazin-1-ium;[4-[3-(4-methoxy-2-methylphenyl)-4-methyl-6-phenylpyrazin-4-ium-2-yl]phenyl]methanol;[2-[3-(2-methoxyphenyl)-1-methyl-5-phenylpyrazin-1-ium-2-yl]-3-methylphenyl]methanol;1-methyl-3-(4-methylphenyl)-2-[2-methyl-4-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrazin-1-ium
CID 159265207
2-fluoro-4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile;5-[2-(3-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(4-methoxyphenyl)-3-pyridinyl]-1H-isoindole;5-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]-1H-isoindole;5-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole
CID 159490819

Frequently Asked Questions

What is the IUPAC name of [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
The IUPAC name of [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide (CID 172940577) is [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide.
What is the SMILES notation for [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
The canonical SMILES for [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide is [C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(F)c(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3cccc(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccc(C)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccnc(F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccnc(F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(F)c(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(F)c(C(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C(F)(F)F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccnc(F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccnc(F)c5)ccc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12.
What is the InChIKey of [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
The InChIKey is UDLNLPRQFYJMLD-XEIJSEMCSA-N. The full InChI is InChI=1S/C40H17F5N4.C40H19F3N4.C36H17F5N4.C36H19F3N4.C36H14F2N6.C32H14F2N6.C24H14N4O2/c1-20-12-21(6-10-34(20)41)22-4-8-25-27-16-32-28(17-31(27)38(29(25)13-22)36(18-46)48-2)26-9-5-23(14-30(26)39(32)37(19-47)49-3)24-7-11-35(42)33(15-24)40(43,44)45;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)40(41,42)43;1-18-11-19(5-9-32(18)37)20-3-8-24-26-15-29-25(16-30(26)35(45-43-2)28(24)13-20)23-7-4-21(12-27(23)34(29)44-17-42)22-6-10-33(38)31(14-22)36(39,40)41;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)36(37,38)39;1-41-31(17-39)35-27-11-19(21-7-9-43-33(37)13-21)3-5-23(27)25-16-30-26(15-29(25)35)24-6-4-20(22-8-10-44-34(38)14-22)12-28(24)36(30)32(18-40)42-2;1-36-40-32-26-11-18(20-7-9-38-30(34)13-20)3-5-22(26)24-14-27-23(15-28(24)32)21-4-2-17(10-25(21)31(27)39-16-35)19-6-8-37-29(33)12-19;1-26-28-24-16-5-3-13(11-29)7-17(16)19-9-21-20(10-22(19)24)18-8-14(30-2)4-6-15(18)23(21)27-12-25/h4-17H,1H3;4-19H,1H3;3-16H,1H3;3-18H,1H3;3-16H;2-15H;3-10,29H,11H2,2H3/b2*38-36+,39-37-;44-34+,45-35+;42-34+,43-35+;35-31-,36-32+;39-31+,40-32+;27-23+,28-24+.
What are the key properties of [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
[(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide has a molecular weight of 3905.78 g/mol, XLogP of 58.83, 14 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-2,8-bis(2-fluoro-4-pyridinyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(2-fluoro-4-pyridinyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(6Z)-6-[cyano(isocyano)methylidene]-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(4-fluoro-3-methylphenyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide is sourced from PubChem (CID 172940577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).