C186H122N16O — CID 161227375
2-dibenzofuran-3-yl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 161227375) has the molecular formula C186H122N16O and a molecular weight of 2597.13 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-3-yl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 161227375 |
| Molecular Formula | C186H122N16O |
| Molecular Weight | 2597.13 g/mol |
| Exact Mass | 2595.00 |
| IUPAC Name | 2-dibenzofuran-3-yl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(C2(c3cccc(-c4nc(-c5cccc(-c6cccnc6)c5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/C51H32N4O.3C45H30N4/c1-2-17-38(18-3-1)51(44-23-7-4-20-40(44)41-21-5-8-24-45(41)51)39-19-11-15-35(30-39)49-53-48(34-14-10-13-33(29-34)37-16-12-28-52-32-37)54-50(55-49)36-26-27-43-42-22-6-9-25-46(42)56-47(43)31-36;1-3-14-31(15-4-1)42-47-43(33-17-11-16-32(28-33)35-19-13-27-46-30-35)49-44(48-42)34-18-12-22-37(29-34)45(36-20-5-2-6-21-36)40-25-9-7-23-38(40)39-24-8-10-26-41(39)45;1-3-13-32(14-4-1)42-47-43(33-26-24-31(25-27-33)35-16-12-28-46-30-35)49-44(48-42)34-15-11-19-37(29-34)45(36-17-5-2-6-18-36)40-22-9-7-20-38(40)39-21-8-10-23-41(39)45;1-3-14-32(15-4-1)42-47-43(33-27-25-31(26-28-33)41-24-11-12-29-46-41)49-44(48-42)34-16-13-19-36(30-34)45(35-17-5-2-6-18-35)39-22-9-7-20-37(39)38-21-8-10-23-40(38)45/h1-32H;3*1-30H |
| InChIKey | UYHOCYVDHMDVDR-UHFFFAOYSA-N |
| XLogP | 43.09 |
| TPSA | 219.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2597.13 |
| LogP ≤ 5 | 43.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |