C249H161N15O5 — CID 167655818
2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 167655818) has the molecular formula C249H161N15O5 and a molecular weight of 3443.13 g/mol. Its IUPAC name is 2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 167655818 |
| Molecular Formula | C249H161N15O5 |
| Molecular Weight | 3443.13 g/mol |
| Exact Mass | 3440.28 |
| IUPAC Name | 2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)c4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/4C51H33N3O.C45H29N3O/c1-3-16-34(17-4-1)40-24-7-9-26-43(40)50-52-49(53-51(54-50)44-27-10-8-25-41(44)35-18-5-2-6-19-35)39-23-14-21-37(33-39)36-20-13-22-38(32-36)42-29-15-31-47-48(42)45-28-11-12-30-46(45)55-47;1-3-14-34(15-4-1)36-18-12-22-41(31-36)49-52-50(54-51(53-49)46-26-8-7-24-43(46)35-16-5-2-6-17-35)42-23-13-21-39(32-42)37-19-11-20-38(30-37)40-28-29-45-44-25-9-10-27-47(44)55-48(45)33-40;1-3-14-34(15-4-1)35-28-30-37(31-29-35)49-52-50(54-51(53-49)46-24-8-7-22-42(46)36-16-5-2-6-17-36)41-21-12-19-39(33-41)38-18-11-20-40(32-38)43-25-13-26-45-44-23-9-10-27-47(44)55-48(43)45;1-3-14-34(15-4-1)35-28-30-37(31-29-35)49-52-50(54-51(53-49)44-23-8-7-22-42(44)36-16-5-2-6-17-36)41-21-12-19-39(33-41)38-18-11-20-40(32-38)43-25-13-27-47-48(43)45-24-9-10-26-46(45)55-47;1-3-13-30(14-4-1)37-21-7-8-23-39(37)45-47-43(31-15-5-2-6-16-31)46-44(48-45)36-20-12-19-34(28-36)32-17-11-18-33(27-32)35-25-26-42-40(29-35)38-22-9-10-24-41(38)49-42/h4*1-33H;1-29H |
| InChIKey | RFYLJSAMMNUFEX-UHFFFAOYSA-N |
| XLogP | 65.53 |
| TPSA | 259.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 269 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3443.13 |
| LogP ≤ 5 | 65.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |