C153H99N9O3 — CID 161271713
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 161271713) has the molecular formula C153H99N9O3 and a molecular weight of 2111.53 g/mol. Its IUPAC name is 2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
| Compound Name | 2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 161271713 |
| Molecular Formula | C153H99N9O3 |
| Molecular Weight | 2111.53 g/mol |
| Exact Mass | 2109.79 |
| IUPAC Name | 2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc(-c9ccccc9)c8)cc7)cc6c45)n3)cc2)cc1 |
| InChI | InChI=1S/3C51H33N3O/c1-5-14-34(15-6-1)41-30-42(35-16-7-2-8-17-35)32-43(31-41)37-26-24-36(25-27-37)40-28-29-46-45(33-40)48-44(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;1-4-12-34(13-5-1)36-26-28-40(29-27-36)50-52-49(39-16-8-3-9-17-39)53-51(54-50)44-20-11-21-47-48(44)45-33-43(30-31-46(45)55-47)38-24-22-37(23-25-38)42-19-10-18-41(32-42)35-14-6-2-7-15-35;1-4-12-34(13-5-1)36-22-24-37(25-23-36)38-26-28-39(29-27-38)42-30-31-46-45(33-42)48-44(20-11-21-47(48)55-46)51-53-49(40-16-8-3-9-17-40)52-50(54-51)43-19-10-18-41(32-43)35-14-6-2-7-15-35/h3*1-33H |
| InChIKey | VDXFYTOYEXWTIB-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 |