C189H135N15 — CID 158946887
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158946887) has the molecular formula C189H135N15 and a molecular weight of 2616.26 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158946887 |
| Molecular Formula | C189H135N15 |
| Molecular Weight | 2616.26 g/mol |
| Exact Mass | 2614.10 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)c5)c4)nc(-c4ccccc4)n3)ccc21 |
| InChI | InChI=1S/2C64H45N5.C61H45N5/c1-64(2)56-33-13-12-32-54(56)55-40-50(34-35-57(55)64)59-41-58(65-60(66-59)44-22-10-5-11-23-44)49-28-14-26-47(36-49)48-27-17-31-53(39-48)63-68-61(51-29-15-24-45(37-51)42-18-6-3-7-19-42)67-62(69-63)52-30-16-25-46(38-52)43-20-8-4-9-21-43;1-64(2)56-27-13-12-26-54(56)55-40-52(36-37-57(55)64)59-41-58(65-60(66-59)46-20-10-5-11-21-46)51-24-14-22-49(38-51)50-23-15-25-53(39-50)63-68-61(47-32-28-44(29-33-47)42-16-6-3-7-17-42)67-62(69-63)48-34-30-45(31-35-48)43-18-8-4-9-19-43;1-60(2)51-28-14-12-26-47(51)49-35-43(30-32-52(49)60)55-37-54(62-56(63-55)38-17-7-5-8-18-38)42-23-15-21-40(33-42)41-22-16-24-44(34-41)58-64-57(39-19-9-6-10-20-39)65-59(66-58)45-29-31-48-46-25-11-13-27-50(46)61(3,4)53(48)36-45/h2*3-41H,1-2H3;5-37H,1-4H3 |
| InChIKey | JKXXDFYNJZXMMP-UHFFFAOYSA-N |
| XLogP | 46.88 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2616.26 |
| LogP ≤ 5 | 46.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |