C204H132N12O4 — CID 167548643
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167548643) has the molecular formula C204H132N12O4 and a molecular weight of 2815.38 g/mol. Its IUPAC name is 2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 167548643 |
| Molecular Formula | C204H132N12O4 |
| Molecular Weight | 2815.38 g/mol |
| Exact Mass | 2813.05 |
| IUPAC Name | 2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccccc5-c5ccccc5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccccc5-c5ccccc5)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1 |
| InChI | InChI=1S/4C51H33N3O/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)41-19-8-10-22-46(41)51-53-49(52-50(54-51)45-21-9-7-18-40(45)36-16-5-2-6-17-36)39-32-30-38(31-33-39)42-23-13-24-44-43-20-11-12-25-47(43)55-48(42)44;1-3-13-34(14-4-1)35-23-27-38(28-24-35)42-18-8-10-21-46(42)51-53-49(52-50(54-51)45-20-9-7-17-41(45)37-15-5-2-6-16-37)39-29-25-36(26-30-39)40-31-32-44-43-19-11-12-22-47(43)55-48(44)33-40;1-3-13-34(14-4-1)35-25-27-36(28-26-35)40-17-11-18-41(33-40)50-52-49(53-51(54-50)46-21-8-7-19-42(46)37-15-5-2-6-16-37)39-31-29-38(30-32-39)43-22-12-23-45-44-20-9-10-24-47(44)55-48(43)45;1-3-12-34(13-4-1)35-22-24-36(25-23-35)37-26-30-40(31-27-37)49-52-50(54-51(53-49)46-18-8-7-16-42(46)38-14-5-2-6-15-38)41-32-28-39(29-33-41)43-19-11-20-45-44-17-9-10-21-47(44)55-48(43)45/h4*1-33H |
| InChIKey | CCVNMEQFBJRFSF-UHFFFAOYSA-N |
| XLogP | 53.76 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2815.38 |
| LogP ≤ 5 | 53.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |