C204H132N12O4 — CID 165042991
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165042991) has the molecular formula C204H132N12O4 and a molecular weight of 2815.38 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165042991 |
| Molecular Formula | C204H132N12O4 |
| Molecular Weight | 2815.38 g/mol |
| Exact Mass | 2813.05 |
| IUPAC Name | 2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)c2)cc1 |
| InChI | InChI=1S/4C51H33N3O/c1-5-15-34(16-6-1)38-23-13-24-39(29-38)49-52-50(40-27-28-45-47(33-40)55-46-26-14-25-44(48(45)46)37-21-11-4-12-22-37)54-51(53-49)43-31-41(35-17-7-2-8-18-35)30-42(32-43)36-19-9-3-10-20-36;1-5-14-34(15-6-1)37-24-26-39(27-25-37)49-52-50(40-28-29-45-47(33-40)55-46-23-13-22-44(48(45)46)38-20-11-4-12-21-38)54-51(53-49)43-31-41(35-16-7-2-8-17-35)30-42(32-43)36-18-9-3-10-19-36;1-4-14-34(15-5-1)37-20-10-23-40(30-37)44-26-13-27-46-48(44)45-29-28-43(33-47(45)55-46)51-53-49(41-24-11-21-38(31-41)35-16-6-2-7-17-35)52-50(54-51)42-25-12-22-39(32-42)36-18-8-3-9-19-36;1-4-12-34(13-5-1)37-22-26-39(27-23-37)49-52-50(40-28-24-38(25-29-40)35-14-6-2-7-15-35)54-51(53-49)43-30-31-45-47(33-43)55-46-21-11-20-44(48(45)46)42-19-10-18-41(32-42)36-16-8-3-9-17-36/h4*1-33H |
| InChIKey | OLBJZFPKLUEABP-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 |