C172H114N12 — CID 160879933
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (PubChem CID 160879933) has the molecular formula C172H114N12 and a molecular weight of 2348.89 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.
| Compound Name | 2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 160879933 |
| Molecular Formula | C172H114N12 |
| Molecular Weight | 2348.89 g/mol |
| Exact Mass | 2346.93 |
| IUPAC Name | 2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1 |
| InChI | InChI=1S/2C46H31N3.C40H25N3.C40H27N3/c1-5-16-32(17-6-1)33-28-30-35(31-29-33)44-47-43(34-18-7-2-8-19-34)48-45(49-44)39-25-15-27-41-42(39)38-24-13-14-26-40(38)46(41,36-20-9-3-10-21-36)37-22-11-4-12-23-37;1-5-15-32(16-6-1)33-25-27-35(28-26-33)44-47-43(34-17-7-2-8-18-34)48-45(49-44)36-29-30-40-39-23-13-14-24-41(39)46(42(40)31-36,37-19-9-3-10-20-37)38-21-11-4-12-22-38;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-32-31-19-9-12-22-35(31)40(36(32)25-28)33-20-10-7-17-29(33)30-18-8-11-21-34(30)40;1-5-15-28(16-6-1)37-41-38(29-17-7-2-8-18-29)43-39(42-37)30-25-26-34-33-23-13-14-24-35(33)40(36(34)27-30,31-19-9-3-10-20-31)32-21-11-4-12-22-32/h2*1-31H;1-25H;1-27H |
| InChIKey | SMWZCHGDRMRPQP-UHFFFAOYSA-N |
| XLogP | 40.26 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2348.89 |
| LogP ≤ 5 | 40.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |