C172H156N12O8 — CID 164961041
2-[4-(11,11-diphenylbenzo[b]fluoren-3-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-1-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-4-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenol (PubChem CID 164961041) has the molecular formula C172H156N12O8 and a molecular weight of 2519.22 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[b]fluoren-3-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-1-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-4-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenol.
| Compound Name | 2-[4-(11,11-diphenylbenzo[b]fluoren-3-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-1-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-4-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenol |
|---|---|
| PubChem CID | 164961041 |
| Molecular Formula | C172H156N12O8 |
| Molecular Weight | 2519.22 g/mol |
| Exact Mass | 2517.22 |
| IUPAC Name | 2-[4-(11,11-diphenylbenzo[b]fluoren-3-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-1-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(9,9-diphenylfluoren-4-yl)-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenol |
| SMILES | CCCCC(CC)COc1nc(-c2ccc3c(c2)-c2cc4ccccc4cc2C3(c2ccccc2)c2ccccc2)nc(-c2ccccc2O)n1.CCCCC(CC)COc1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2O)n1.CCCCC(CC)COc1nc(-c2ccccc2O)nc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)n1.CCCCC(CC)COc1nc(-c2ccccc2O)nc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)n1 |
| InChI | InChI=1S/C46H41N3O2.C42H37N3O2.2C42H39N3O2/c1-3-5-16-31(4-2)30-51-45-48-43(47-44(49-45)37-23-14-15-24-42(37)50)34-25-26-40-38(28-34)39-27-32-17-12-13-18-33(32)29-41(39)46(40,35-19-8-6-9-20-35)36-21-10-7-11-22-36;1-3-5-14-27(4-2)26-47-41-44-39(43-40(45-41)33-18-9-13-22-38(33)46)28-23-24-32-31-17-8-12-21-36(31)42(37(32)25-28)34-19-10-6-15-29(34)30-16-7-11-20-35(30)42;1-3-5-17-29(4-2)28-47-41-44-39(34-23-13-15-27-37(34)46)43-40(45-41)35-25-16-24-33-32-22-12-14-26-36(32)42(38(33)35,30-18-8-6-9-19-30)31-20-10-7-11-21-31;1-3-5-17-29(4-2)28-47-41-44-39(33-23-13-15-27-37(33)46)43-40(45-41)34-24-16-26-36-38(34)32-22-12-14-25-35(32)42(36,30-18-8-6-9-19-30)31-20-10-7-11-21-31/h6-15,17-29,31,50H,3-5,16,30H2,1-2H3;6-13,15-25,27,46H,3-5,14,26H2,1-2H3;2*6-16,18-27,29,46H,3-5,17,28H2,1-2H3 |
| InChIKey | BVNDQVCFCITOFX-UHFFFAOYSA-N |
| XLogP | 40.61 |
| TPSA | 272.52 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2519.22 |
| LogP ≤ 5 | 40.61 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |