C208H140N12 — CID 159194371
2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159194371) has the molecular formula C208H140N12 and a molecular weight of 2807.49 g/mol. Its IUPAC name is 2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 159194371 |
| Molecular Formula | C208H140N12 |
| Molecular Weight | 2807.49 g/mol |
| Exact Mass | 2805.13 |
| IUPAC Name | 2-[3-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)n2)cc1 |
| InChI | InChI=1S/4C52H35N3/c1-5-17-36(18-6-1)49-53-50(37-19-7-2-8-20-37)55-51(54-49)42-24-16-23-40(34-42)38-21-15-22-39(33-38)41-31-32-48-46(35-41)45-29-13-14-30-47(45)52(48,43-25-9-3-10-26-43)44-27-11-4-12-28-44;1-5-16-38(17-6-1)49-53-50(39-18-7-2-8-19-39)55-51(54-49)42-21-15-20-40(34-42)36-28-30-37(31-29-36)41-32-33-48-46(35-41)45-26-13-14-27-47(45)52(48,43-22-9-3-10-23-43)44-24-11-4-12-25-44;1-5-16-38(17-6-1)49-53-50(39-18-7-2-8-19-39)55-51(54-49)42-21-15-20-40(34-42)36-28-30-37(31-29-36)41-32-33-46-45-26-13-14-27-47(45)52(48(46)35-41,43-22-9-3-10-23-43)44-24-11-4-12-25-44;1-5-16-37(17-6-1)49-53-50(38-18-7-2-8-19-38)55-51(54-49)39-30-28-36(29-31-39)40-20-15-21-41(34-40)42-32-33-46-45-26-13-14-27-47(45)52(48(46)35-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h4*1-35H |
| InChIKey | KOMAWGJRJNIJGN-UHFFFAOYSA-N |
| XLogP | 50.28 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2807.49 |
| LogP ≤ 5 | 50.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |