(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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide

C224H103F11N36O8 — CID 172939411

About (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide

(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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide (PubChem CID 172939411) has the molecular formula C224H103F11N36O8 and a molecular weight of 3635.51 g/mol. Its IUPAC name is (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide.

Molecular Properties

• Compound Name: (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide
• PubChem CID: 172939411
• Molecular Formula: C224H103F11N36O8
• Molecular Weight: 3635.51 g/mol
• Exact Mass: 3632.86
• IUPAC Name: (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-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/c2cc3c(cc2-c2cc4nccnc4cc21)/C(=C(/C#N)[N+]#[C-])c1cc2nccnc2cc1-3.[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(Oc3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc3nccnc3cc2c2cc3/c(=N/C#N)c4cc5nccnc5cc4c3cc12.[C-]#[N+]/N=c1\c2ccc(CO)cc2c2cc3/c(=N/C#N)c4ccc(OC)cc4c3cc12
• InChI: InChI=1S/C40H17F5N4.C40H19F3N4O2.C36H19F3N4O2.C30H10N8.C28H14N4O2.C26H10N8.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;1-22-4-8-24(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;1-33-27(13-31)29-19-7-16-18-10-24-26(38-6-4-36-24)12-22(18)30(28(14-32)34-2)20(16)8-15(19)17-9-23-25(11-21(17)29)37-5-3-35-23;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;1-28-34-26-18-7-13-15-8-21-23(31-4-2-29-21)10-19(15)25(33-12-27)17(13)6-14(18)16-9-22-24(11-20(16)26)32-5-3-30-22;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;3-18H,1H3;3-12H;4-11,33H,14H2,3H3;2-11H;3-10,29H,11H2,2H3/b2*38-36+,39-37-;42-34+,43-35+;29-27-,30-28+;27-25+,28-26-;33-25-,34-26-;27-23+,28-24+
• InChIKey: DFMYHTCWQSNTRJ-VUQOKCHZSA-N
• XLogP: 50.62
• TPSA: 582.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3635.51
LogP ≤ 5	50.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide?

The IUPAC name of (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide (CID 172939411) is (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide.

What is the SMILES notation for (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide?

The canonical SMILES for (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-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/c2cc3c(cc2-c2cc4nccnc4cc21)/C(=C(/C#N)[N+]#[C-])c1cc2nccnc2cc1-3.[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(Oc3ccc(C)cc3)ccc2c2cc3/c(=N/C#N)c4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc3nccnc3cc2c2cc3/c(=N/C#N)c4cc5nccnc5cc4c3cc12.[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]-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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide?

The InChIKey is DFMYHTCWQSNTRJ-VUQOKCHZSA-N. The full InChI is InChI=1S/C40H17F5N4.C40H19F3N4O2.C36H19F3N4O2.C30H10N8.C28H14N4O2.C26H10N8.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;1-22-4-8-24(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;1-33-27(13-31)29-19-7-16-18-10-24-26(38-6-4-36-24)12-22(18)30(28(14-32)34-2)20(16)8-15(19)17-9-23-25(11-21(17)29)37-5-3-35-23;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;1-28-34-26-18-7-13-15-8-21-23(31-4-2-29-21)10-19(15)25(33-12-27)17(13)6-14(18)16-9-22-24(11-20(16)26)32-5-3-30-22;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;3-18H,1H3;3-12H;4-11,33H,14H2,3H3;2-11H;3-10,29H,11H2,2H3/b2*38-36+,39-37-;42-34+,43-35+;29-27-,30-28+;27-25+,28-26-;33-25-,34-26-;27-23+,28-24+.

What are the key properties of (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide?

(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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide has a molecular weight of 3635.51 g/mol, XLogP of 50.62, 14 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (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-[(28Z)-28-[cyano(isocyano)methylidene]-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaen-14-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;[(28Z)-28-isocyanoimino-7,10,21,24-tetrazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4,6,8,10,12,16,18,20,22,24,26-tridecaen-14-ylidene]cyanamide is sourced from PubChem (CID 172939411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).