C198H128N12O4 — CID 164999479
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164999479) has the molecular formula C198H128N12O4 and a molecular weight of 2739.28 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 164999479 |
| Molecular Formula | C198H128N12O4 |
| Molecular Weight | 2739.28 g/mol |
| Exact Mass | 2737.02 |
| IUPAC Name | 2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4oc4c(-c6ccc(-c7ccccc7)cc6)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6c(-c7ccccc7)cccc6c45)n3)cc2)cc1 |
| InChI | InChI=1S/3C51H33N3O.C45H29N3O/c1-4-12-34(13-5-1)37-22-28-40(29-23-37)43-18-10-19-44-47-45(20-11-21-46(47)55-48(43)44)51-53-49(41-30-24-38(25-31-41)35-14-6-2-7-15-35)52-50(54-51)42-32-26-39(27-33-42)36-16-8-3-9-17-36;1-4-12-34(13-5-1)37-22-28-40(29-23-37)43-18-10-19-44-45-20-11-21-46(48(45)55-47(43)44)51-53-49(41-30-24-38(25-31-41)35-14-6-2-7-15-35)52-50(54-51)42-32-26-39(27-33-42)36-16-8-3-9-17-36;1-4-11-34(12-5-1)37-19-25-40(26-20-37)44-17-10-18-45-46-33-43(31-32-47(46)55-48(44)45)51-53-49(41-27-21-38(22-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-23-39(24-30-42)36-15-8-3-9-16-36;1-4-13-30(14-5-1)32-25-27-34(28-26-32)43-46-44(36-20-10-19-35(29-36)31-15-6-2-7-16-31)48-45(47-43)39-23-12-24-40-41(39)38-22-11-21-37(42(38)49-40)33-17-8-3-9-18-33/h3*1-33H;1-29H |
| InChIKey | IANYPCBVEUEEEQ-UHFFFAOYSA-N |
| XLogP | 52.09 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2739.28 |
| LogP ≤ 5 | 52.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |