C153H99N9O3 — CID 160543565
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 160543565) has the molecular formula C153H99N9O3 and a molecular weight of 2111.53 g/mol. Its IUPAC name is 2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
| Compound Name | 2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 160543565 |
| Molecular Formula | C153H99N9O3 |
| Molecular Weight | 2111.53 g/mol |
| Exact Mass | 2109.79 |
| IUPAC Name | 2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c3)c2)cc1 |
| InChI | InChI=1S/3C51H33N3O/c1-5-15-34(16-6-1)38-23-13-24-39(29-38)42-30-41(35-17-7-2-8-18-35)31-43(32-42)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37;1-5-14-34(15-6-1)40-28-30-42(44(32-40)36-16-7-2-8-17-36)37-26-24-35(25-27-37)41-29-31-46-45(33-41)48-43(22-13-23-47(48)55-46)51-53-49(38-18-9-3-10-19-38)52-50(54-51)39-20-11-4-12-21-39;1-5-14-34(15-6-1)35-24-26-37(27-25-35)42-30-28-40(32-44(42)36-16-7-2-8-17-36)41-29-31-46-45(33-41)48-43(22-13-23-47(48)55-46)51-53-49(38-18-9-3-10-19-38)52-50(54-51)39-20-11-4-12-21-39/h3*1-33H |
| InChIKey | QXCROUMUAKMLEO-UHFFFAOYSA-N |
| XLogP | 40.32 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2111.53 |
| LogP ≤ 5 | 40.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |