C222H168N12 — CID 158233216
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 158233216) has the molecular formula C222H168N12 and a molecular weight of 3003.87 g/mol. Its IUPAC name is 2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine.
| Compound Name | 2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 158233216 |
| Molecular Formula | C222H168N12 |
| Molecular Weight | 3003.87 g/mol |
| Exact Mass | 3001.35 |
| IUPAC Name | 2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C7(C)C)c5)n4)c3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)c7)c6)n5)c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)n4)c3)cc21 |
| InChI | InChI=1S/C63H47N3.C57H43N3.2C51H39N3/c1-62(2)55-28-10-8-26-51(55)53-32-30-47(38-57(53)62)43-20-12-18-41(34-43)45-22-14-24-49(36-45)60-64-59(40-16-6-5-7-17-40)65-61(66-60)50-25-15-23-46(37-50)42-19-13-21-44(35-42)48-31-33-54-52-27-9-11-29-56(52)63(3,4)58(54)39-48;1-56(2)49-22-10-8-20-45(49)47-30-28-41(34-51(47)56)39-16-12-18-43(32-39)54-58-53(38-26-24-37(25-27-38)36-14-6-5-7-15-36)59-55(60-54)44-19-13-17-40(33-44)42-29-31-48-46-21-9-11-23-50(46)57(3,4)52(48)35-42;1-50(2)43-22-10-8-20-39(43)41-30-35(24-26-45(41)50)33-16-12-18-37(28-33)48-52-47(32-14-6-5-7-15-32)53-49(54-48)38-19-13-17-34(29-38)36-25-27-46-42(31-36)40-21-9-11-23-44(40)51(46,3)4;1-50(2)43-22-10-8-20-39(43)41-26-24-35(30-45(41)50)33-16-12-18-37(28-33)48-52-47(32-14-6-5-7-15-32)53-49(54-48)38-19-13-17-34(29-38)36-25-27-42-40-21-9-11-23-44(40)51(3,4)46(42)31-36/h5-39H,1-4H3;5-35H,1-4H3;2*5-31H,1-4H3 |
| InChIKey | GEQFBZFPGXUCIF-UHFFFAOYSA-N |
| XLogP | 56.28 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3003.87 |
| LogP ≤ 5 | 56.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |