(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide

C268H130F22N32O8 — CID 172988961

IUPAC(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-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(C(F)(F)F)ccc2-c2c(C)c3c(c(C)c21)-c1ccc(C)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2c(F)c3c(c(F)c21)-c1ccc(C)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccc(OC)cc2-c2cc3c(cc21)-c1cc(CO)ccc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(Oc3ccc(C)cc3)ccc2-c2cc3c(cc21)-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C(F)(F)F)c5)ccc4c3c(-c3ccccc3)c12.[C-]#[N+]/N=c1\c2cc(Oc3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12
InChIInChI=1S/C42H23F3N4.C40H17F5N4.C40H19F3N4O2.C36H19F3N4O2.C30H15F3N4.C28H9F5N4.C28H14N4O2.C24H14N4O2/c1-24-8-6-11-26(18-24)28-14-16-31-33-22-36-38(37(25-9-4-3-5-10-25)39(33)41(49-47-2)34(31)20-28)32-17-15-29(21-35(32)40(36)48-23-46)27-12-7-13-30(19-27)42(43,44)45;1-20-12-21(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;1-22-4-8-24(9-5-22)48-26-12-14-28-30-18-35-31(19-34(30)38(32(28)16-26)36(20-44)46-2)29-15-13-27(17-33(29)39(35)37(21-45)47-3)49-25-10-6-23(7-11-25)40(41,42)43;1-20-3-7-22(8-4-20)44-25-12-14-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-25)26-13-11-24(15-30(26)34(32)42-19-40)45-23-9-5-21(6-10-23)36(37,38)39;1-14-6-8-18-20(10-14)28(22(12-34)36-4)26-16(3)25-19-9-7-17(30(31,32)33)11-21(19)29(23(13-35)37-5)27(25)15(2)24(18)26;1-12-4-6-14-16(8-12)20(18(10-34)36-2)24-22(14)26(29)25-21(19(11-35)37-3)17-9-13(28(31,32)33)5-7-15(17)23(25)27(24)30;1-31-25(12-29)27-17-6-4-15(14-33)8-19(17)21-10-24-22(11-23(21)27)20-9-16(34-3)5-7-18(20)28(24)26(13-30)32-2;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/h3-22H,1H3;4-17H,1H3;4-19H,1H3;3-18H,1H3;6-11H,1-3H3;4-9H,1H3;4-11,33H,14H2,3H3;3-10,29H,11H2,2H3/b48-40+,49-41+;2*38-36+,39-37-;42-34+,43-35+;28-22+,29-23-;20-18+,21-19-;27-25+,28-26-;27-23+,28-24+
InChIKeyWKLIEYGLAJWOAP-GDWXPMKBSA-N
MW4344.16 g/mol
LogP66.78
Rot. Bonds17

About (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide

(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide (PubChem CID 172988961) has the molecular formula C268H130F22N32O8 and a molecular weight of 4344.16 g/mol. Its IUPAC name is (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide.

Molecular Properties

Compound Name(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
PubChem CID172988961
Molecular FormulaC268H130F22N32O8
Molecular Weight4344.16 g/mol
Exact Mass4341.04
IUPAC Name(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-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(C(F)(F)F)ccc2-c2c(C)c3c(c(C)c21)-c1ccc(C)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2c(F)c3c(c(F)c21)-c1ccc(C)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccc(OC)cc2-c2cc3c(cc21)-c1cc(CO)ccc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(Oc3ccc(C)cc3)ccc2-c2cc3c(cc21)-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C(F)(F)F)c5)ccc4c3c(-c3ccccc3)c12.[C-]#[N+]/N=c1\c2cc(Oc3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12
InChIInChI=1S/C42H23F3N4.C40H17F5N4.C40H19F3N4O2.C36H19F3N4O2.C30H15F3N4.C28H9F5N4.C28H14N4O2.C24H14N4O2/c1-24-8-6-11-26(18-24)28-14-16-31-33-22-36-38(37(25-9-4-3-5-10-25)39(33)41(49-47-2)34(31)20-28)32-17-15-29(21-35(32)40(36)48-23-46)27-12-7-13-30(19-27)42(43,44)45;1-20-12-21(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;1-22-4-8-24(9-5-22)48-26-12-14-28-30-18-35-31(19-34(30)38(32(28)16-26)36(20-44)46-2)29-15-13-27(17-33(29)39(35)37(21-45)47-3)49-25-10-6-23(7-11-25)40(41,42)43;1-20-3-7-22(8-4-20)44-25-12-14-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-25)26-13-11-24(15-30(26)34(32)42-19-40)45-23-9-5-21(6-10-23)36(37,38)39;1-14-6-8-18-20(10-14)28(22(12-34)36-4)26-16(3)25-19-9-7-17(30(31,32)33)11-21(19)29(23(13-35)37-5)27(25)15(2)24(18)26;1-12-4-6-14-16(8-12)20(18(10-34)36-2)24-22(14)26(29)25-21(19(11-35)37-3)17-9-13(28(31,32)33)5-7-15(17)23(25)27(24)30;1-31-25(12-29)27-17-6-4-15(14-33)8-19(17)21-10-24-22(11-23(21)27)20-9-16(34-3)5-7-18(20)28(24)26(13-30)32-2;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/h3-22H,1H3;4-17H,1H3;4-19H,1H3;3-18H,1H3;6-11H,1-3H3;4-9H,1H3;4-11,33H,14H2,3H3;3-10,29H,11H2,2H3/b48-40+,49-41+;2*38-36+,39-37-;42-34+,43-35+;28-22+,29-23-;20-18+,21-19-;27-25+,28-26-;27-23+,28-24+
InChIKeyWKLIEYGLAJWOAP-GDWXPMKBSA-N
XLogP66.78
TPSA535.95 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004344.16
LogP ≤ 566.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 172920136
(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2,8-difluoro-12-isocyanoimino-5,11-diphenylindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-methyl-5,11-diphenyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;(2Z)-2-[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]acetonitrile;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-6-isocyanoimino-11-(4-methylphenyl)-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172988537
(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-fluoro-8-(4-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12E)-12-[cyano(isocyano)methylidene]-1,2,3,4-tetrafluoro-8-(3-methylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(12E)-2-(3,5-dimethylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-isocyanophenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2-fluoro-6-isocyanoimino-8-(4-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-2-(4-fluoro-3-methylphenyl)-12-isocyanoiminoindeno[1,2-b]fluoren-6-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(4-isocyanophenyl)indeno[1,2-b]fluoren-6-ylidene]cyanamide;[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172928774
(2E)-2-[(20Z)-17-[3,5-bis(trifluoromethyl)phenyl]-20-[cyano(isocyano)methylidene]-7-(3,5-dimethylphenyl)-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;[(20E)-7-[3,5-bis(trifluoromethyl)phenyl]-17-(3,5-dimethylphenyl)-20-isocyanoimino-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;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2,3-bis(4-methylphenyl)-7,8-bis[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-7,17-bis(2,3,4,5,6-pentafluorophenyl)-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;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-7-(4-fluoro-3-methylphenyl)-17-[4-fluoro-3-(trifluoromethyl)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;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(20E)-17-(4-fluoro-3-methylphenyl)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-20-isocyanoimino-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;[(20E)-20-isocyanoimino-7,17-bis(2,3,4,5,6-pentafluorophenyl)-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;[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172936645
(2E)-2-[(10Z)-8-[3,5-bis(trifluoromethyl)phenyl]-10-[cyano(isocyano)methylidene]-2-(3,5-dimethylphenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;8-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethylphenyl)-10-N,12-N-diisocyanoindeno[2,1-b]fluorene-10,12-diimine;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2,8-bis(3,4,5-trifluorophenyl)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethyl)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-fluoro-3-methylphenyl)-8-[4-fluoro-3-(trifluoromethyl)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;10-N,12-N-diisocyano-2,8-bis(3,4,5-trifluorophenyl)indeno[2,1-b]fluorene-10,12-diimine;10-N,12-N-diisocyano-2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-diimine;2-(3-fluoro-4-methylphenyl)-8-[3-fluoro-4-(trifluoromethyl)phenyl]-10-N,12-N-diisocyanoindeno[2,1-b]fluorene-10,12-diimine;2-(4-fluoro-3-methylphenyl)-8-[4-fluoro-3-(trifluoromethyl)phenyl]-10-N,12-N-diisocyanoindeno[2,1-b]fluorene-10,12-diimine
CID 172920227
[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-naphthalen-1-yl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(4-phenylphenyl)-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-8-naphthalen-1-yl-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-8-(4-phenylphenyl)-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172966928
[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(3-fluoro-4-methylphenyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-8-(3-fluoro-5-methylphenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-8-(3-fluoro-4-methylphenyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-8-(3-fluoro-5-methylphenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172971170
(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-difluoroindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-dinaphthalen-1-ylindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-diphenylindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6Z)-2,8-difluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-dinaphthalen-1-ylindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-diphenylindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-1,2,3,4,7,8,9,10-octafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 172989488
(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-8-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylindeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile
CID 58518215
[(6E)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3,5-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-2,8-bis(4-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,4-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(3-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis(4-fluorophenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile
CID 172988367
[6-isocyanoimino-2,8-bis[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 90740041
(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9,23-difluoro-2,16-diphenyl-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-8,22-difluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),2,4,6(11),7,9,13,15,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-8,23-difluoro-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(26Z)-26-[cyano(isocyano)methylidene]-9,21-dimethyl-7,23-bis(trifluoromethyl)-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6(11),7,9,13,16,18,20(25),21,23,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(26E)-26-[cyano(isocyano)methylidene]-23-(3-fluoro-4-methylphenyl)-9-[3-fluoro-4-(trifluoromethyl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),20(25),21,23-tridecaen-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(10Z)-10-[cyano(isocyano)methylidene]-2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(20Z)-20-[cyano(isocyano)methylidene]-9-(4-methylphenyl)-23-[4-(trifluoromethyl)phenyl]-4,14,18,28-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),2,4,6(11),7,9,13,15,18,21(26),22,24,27-tridecaen-12-ylidene]-2-isocyanoacetonitrile;10-N,12-N-diisocyano-2-(4-methylphenyl)-8-[4-(trifluoromethyl)phenyl]indeno[2,1-b]fluorene-10,12-diimine
CID 172985804

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
The IUPAC name of (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide (CID 172988961) is (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide.
What is the SMILES notation for (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
The canonical SMILES for (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-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(C(F)(F)F)ccc2-c2c(C)c3c(c(C)c21)-c1ccc(C)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2cc(C(F)(F)F)ccc2-c2c(F)c3c(c(F)c21)-c1ccc(C)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1/c2ccc(OC)cc2-c2cc3c(cc21)-c1cc(CO)ccc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/C(C#N)=C1\c2cc(Oc3ccc(C)cc3)ccc2-c2cc3c(cc21)-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1/C3=C(\C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3cccc(C)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(C(F)(F)F)c5)ccc4c3c(-c3ccccc3)c12.[C-]#[N+]/N=c1\c2cc(Oc3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12.
What is the InChIKey of (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
The InChIKey is WKLIEYGLAJWOAP-GDWXPMKBSA-N. The full InChI is InChI=1S/C42H23F3N4.C40H17F5N4.C40H19F3N4O2.C36H19F3N4O2.C30H15F3N4.C28H9F5N4.C28H14N4O2.C24H14N4O2/c1-24-8-6-11-26(18-24)28-14-16-31-33-22-36-38(37(25-9-4-3-5-10-25)39(33)41(49-47-2)34(31)20-28)32-17-15-29(21-35(32)40(36)48-23-46)27-12-7-13-30(19-27)42(43,44)45;1-20-12-21(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;1-22-4-8-24(9-5-22)48-26-12-14-28-30-18-35-31(19-34(30)38(32(28)16-26)36(20-44)46-2)29-15-13-27(17-33(29)39(35)37(21-45)47-3)49-25-10-6-23(7-11-25)40(41,42)43;1-20-3-7-22(8-4-20)44-25-12-14-27-29-17-32-28(18-33(29)35(43-41-2)31(27)16-25)26-13-11-24(15-30(26)34(32)42-19-40)45-23-9-5-21(6-10-23)36(37,38)39;1-14-6-8-18-20(10-14)28(22(12-34)36-4)26-16(3)25-19-9-7-17(30(31,32)33)11-21(19)29(23(13-35)37-5)27(25)15(2)24(18)26;1-12-4-6-14-16(8-12)20(18(10-34)36-2)24-22(14)26(29)25-21(19(11-35)37-3)17-9-13(28(31,32)33)5-7-15(17)23(25)27(24)30;1-31-25(12-29)27-17-6-4-15(14-33)8-19(17)21-10-24-22(11-23(21)27)20-9-16(34-3)5-7-18(20)28(24)26(13-30)32-2;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/h3-22H,1H3;4-17H,1H3;4-19H,1H3;3-18H,1H3;6-11H,1-3H3;4-9H,1H3;4-11,33H,14H2,3H3;3-10,29H,11H2,2H3/b48-40+,49-41+;2*38-36+,39-37-;42-34+,43-35+;28-22+,29-23-;20-18+,21-19-;27-25+,28-26-;27-23+,28-24+.
What are the key properties of (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide?
(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide has a molecular weight of 4344.16 g/mol, XLogP of 66.78, 17 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,11-difluoro-8-methyl-2-(trifluoromethyl)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-[(12Z)-12-[cyano(isocyano)methylidene]-9-(hydroxymethyl)-3-methoxyindeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(12E)-12-[cyano(isocyano)methylidene]-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-5,8,11-trimethyl-2-(trifluoromethyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-9-(hydroxymethyl)-6-isocyanoimino-3-methoxyindeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6Z)-6-isocyanoimino-8-(4-methylphenoxy)-2-[4-(trifluoromethyl)phenoxy]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide is sourced from PubChem (CID 172988961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).