C184H93F23N32 — CID 159598148
(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;methane;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-di(quinazolin-2-yl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide (PubChem CID 159598148) has the molecular formula C184H93F23N32 and a molecular weight of 3188.95 g/mol. Its IUPAC name is (2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;methane;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-di(quinazolin-2-yl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide.
| Compound Name | (2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;methane;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-di(quinazolin-2-yl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide |
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| PubChem CID | 159598148 |
| Molecular Formula | C184H93F23N32 |
| Molecular Weight | 3188.95 g/mol |
| Exact Mass | 3186.79 |
| IUPAC Name | (2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;methane;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-di(quinazolin-2-yl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide |
| SMILES | C.C.Cc1cc2c(cc1-c1c(F)c(F)nc(F)c1F)/C(=N\C#N)c1cc(-c3c(F)c(F)nc(F)c3F)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccccn1)/C(=N\C#N)c1cc(-c3ccccn3)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ccncc1)/C(=N\C#N)c1cc(-c3ccncc3)c(C(F)(F)F)cc1-2.Cc1cc2c(cc1-c1ncc3ccccc3n1)/C(=N\C#N)c1cc(-c3ncc4ccccc4n3)c(C(F)(F)F)cc1-2.[C-]#[N+]c1cc2c(cc1-c1ccc3ccccc3c1)-c1cc(-c3ccc4ccccc4c3)c(C#N)cc1/C2=N/C#N.[C-]#[N+]c1nc2ccc(-c3cc4c(cc3C)-c3cc(C(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3/C4=N/C#N)cc2nc1[N+]#[C-] |
| InChI | InChI=1S/C36H13F3N10.C36H18N4.C32H17F3N6.C26H7F11N4.2C26H15F3N4.2CH4/c1-17-8-22-23-13-26(36(37,38)39)21(19-5-6-27-29(10-19)47-32(15-41)31(14-40)46-27)12-25(23)33(45-16-42)24(22)11-20(17)18-4-7-28-30(9-18)49-35(44-3)34(43-2)48-28;1-39-35-19-34-32(18-30(35)27-13-11-23-7-3-5-9-25(23)15-27)31-17-29(28(20-37)16-33(31)36(34)40-21-38)26-12-10-22-6-2-4-8-24(22)14-26;1-17-10-21-22-13-26(32(33,34)35)25(31-38-15-19-7-3-5-9-28(19)41-31)12-24(22)29(39-16-36)23(21)11-20(17)30-37-14-18-6-2-4-8-27(18)40-30;1-7-2-9-10-5-14(26(35,36)37)13(16-19(29)24(33)41-25(34)20(16)30)4-12(10)21(39-6-38)11(9)3-8(7)15-17(27)22(31)40-23(32)18(15)28;1-15-10-20-21-13-24(26(27,28)29)19(17-4-8-32-9-5-17)12-23(21)25(33-14-30)22(20)11-18(15)16-2-6-31-7-3-16;1-15-10-17-18-13-22(26(27,28)29)21(24-7-3-5-9-32-24)12-20(18)25(33-14-30)19(17)11-16(15)23-6-2-4-8-31-23;;/h4-13H,1H3;2-19H;2-15H,1H3;2-5H,1H3;2*2-13H,1H3;2*1H4/b45-33+;40-36-;39-29+;39-21+;2*33-25+;; |
| InChIKey | MLCQSUZYIKINEW-MISNNCTJSA-N |
| XLogP | 46.65 |
| TPSA | 481.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 239 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3188.95 |
| LogP ≤ 5 | 46.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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