C234H144F12N26O4 — CID 157382054
2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline (PubChem CID 157382054) has the molecular formula C234H144F12N26O4 and a molecular weight of 3611.88 g/mol. Its IUPAC name is 2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline.
| Compound Name | 2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline |
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| PubChem CID | 157382054 |
| Molecular Formula | C234H144F12N26O4 |
| Molecular Weight | 3611.88 g/mol |
| Exact Mass | 3609.17 |
| IUPAC Name | 2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-triphenylen-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxypyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dimethoxy-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoline;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]quinoxaline |
| SMILES | COc1cc(OC)nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)n1.COc1nc(OC)nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)n1.FC1(F)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3cccc4cccnc34)cc21.FC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3cccc4nccnc34)cc21 |
| InChI | InChI=1S/C48H29F2N3.C46H27F2N3.C37H22F2N4.C36H21F2N5.C34H23F2N5O2.C33H22F2N6O2/c49-48(50)41-28-33(44-39-22-12-10-20-37(39)43(30-14-4-1-5-15-30)38-21-11-13-23-40(38)44)24-26-35(41)36-27-25-34(29-42(36)48)47-52-45(31-16-6-2-7-17-31)51-46(53-47)32-18-8-3-9-19-32;47-46(48)41-26-31(30-19-22-37-35-17-8-7-15-33(35)34-16-9-10-18-36(34)40(37)25-30)20-23-38(41)39-24-21-32(27-42(39)46)45-50-43(28-11-3-1-4-12-28)49-44(51-45)29-13-5-2-6-14-29;38-37(39)31-21-26(28-15-7-13-23-14-8-20-40-33(23)28)16-18-29(31)30-19-17-27(22-32(30)37)36-42-34(24-9-3-1-4-10-24)41-35(43-36)25-11-5-2-6-12-25;37-36(38)29-20-24(26-12-7-13-31-32(26)40-19-18-39-31)14-16-27(29)28-17-15-25(21-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23;1-42-28-19-29(43-2)38-32(37-28)22-13-15-24-25-16-14-23(18-27(25)34(35,36)26(24)17-22)33-40-30(20-9-5-3-6-10-20)39-31(41-33)21-11-7-4-8-12-21;1-42-31-39-30(40-32(41-31)43-2)22-14-16-24-23-15-13-21(17-25(23)33(34,35)26(24)18-22)29-37-27(19-9-5-3-6-10-19)36-28(38-29)20-11-7-4-8-12-20/h1-29H;1-27H;1-22H;1-21H;3-19H,1-2H3;3-18H,1-2H3 |
| InChIKey | BKZORWXBYZXTEW-UHFFFAOYSA-N |
| XLogP | 56.89 |
| TPSA | 372.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3611.88 |
| LogP ≤ 5 | 56.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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