5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
C264H106F38N34O8 — CID 172927881
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[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;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 172927881) has the molecular formula C264H106F38N34O8 and a molecular weight of 4603.91 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;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide.
Molecular Properties
| Compound Name | 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide |
|---|---|
| PubChem CID | 172927881 |
| Molecular Formula | C264H106F38N34O8 |
| Molecular Weight | 4603.91 g/mol |
| Exact Mass | 4600.83 |
| IUPAC Name | 5-[(6Z,12E)-6,12-bis[cyano(isocyano)methylidene]-2-(4-fluoro-3-isocyanophenyl)indeno[1,2-b]fluoren-8-yl]-2-fluorobenzonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;(2E)-2-[(12Z)-12-[cyano(isocyano)methylidene]-2,8-bis[6-(trifluoromethyl)-3-pyridinyl]indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;[(6E)-6-isocyanoimino-2,8-bis[3-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide;[(6E)-6-isocyanoimino-2,8-bis[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(F)(F)F)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(OC(F)(F)F)cc2)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(OC(F)(F)F)c2)cc1/C3=C(/C#N)[N+]#[C-].[C-]#[N+]/N=c1\c2cc(-c3ccc(C(F)(F)F)nc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(C(F)(F)F)nc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c2cc3/c(=N/C#N)c4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3cc12.[C-]#[N+]/N=c1\c2cc(-c3cccc(OC(F)(F)F)c3)ccc2c2cc3/c(=N/C#N)c4cc(-c5cccc(OC(F)(F)F)c5)ccc4c3cc12 |
| InChI | InChI=1S/2C40H16F6N4O2.C40H14F2N6.C38H14F6N6.2C36H16F6N4O2.C34H14F6N6/c1-49-35(19-47)37-31-15-23(21-3-9-25(10-4-21)51-39(41,42)43)7-13-27(31)29-18-34-30(17-33(29)37)28-14-8-24(16-32(28)38(34)36(20-48)50-2)22-5-11-26(12-6-22)52-40(44,45)46;1-49-35(19-47)37-31-15-23(21-5-3-7-25(13-21)51-39(41,42)43)9-11-27(31)29-18-34-30(17-33(29)37)28-12-10-24(16-32(28)38(34)36(20-48)50-2)22-6-4-8-26(14-22)52-40(44,45)46;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;1-47-31(15-45)35-27-11-19(21-5-9-33(49-17-21)37(39,40)41)3-7-23(27)25-14-30-26(13-29(25)35)24-8-4-20(12-28(24)36(30)32(16-46)48-2)22-6-10-34(50-18-22)38(42,43)44;1-44-46-34-30-15-22(20-4-10-24(11-5-20)48-36(40,41)42)7-13-26(30)28-16-31-27(17-32(28)34)25-12-6-21(14-29(25)33(31)45-18-43)19-2-8-23(9-3-19)47-35(37,38)39;1-44-46-34-30-15-22(20-5-3-7-24(13-20)48-36(40,41)42)9-11-26(30)28-16-31-27(17-32(28)34)25-10-8-21(14-29(25)33(31)45-18-43)19-4-2-6-23(12-19)47-35(37,38)39;1-42-46-32-26-11-18(20-5-9-30(44-15-20)34(38,39)40)3-7-22(26)24-12-27-23(13-28(24)32)21-6-2-17(10-25(21)31(27)45-16-41)19-4-8-29(43-14-19)33(35,36)37/h2*3-18H;4-17H;3-14,17-18H;2*2-17H;2-15H/b2*37-35-,38-36+;39-37-,40-38+;35-31-,36-32+;2*45-33+,46-34+;45-31+,46-32+ |
| InChIKey | HBCDLPAPSSCBJX-BEHYWQHCSA-N |
| XLogP | 69.97 |
| TPSA | 537.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 344 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4603.91 |
| LogP ≤ 5 | 69.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
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