C269H167N15O6 — CID 162192558
2,4-diphenyl-6-[1-(2-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;3-(3,5-diphenylphenyl)-1-(2-triphenylen-2-ylphenyl)dibenzofuran;2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-[1-(2-naphthalen-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-(1-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[1-(2-phenanthren-9-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162192558) has the molecular formula C269H167N15O6 and a molecular weight of 3705.39 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-(2-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;3-(3,5-diphenylphenyl)-1-(2-triphenylen-2-ylphenyl)dibenzofuran;2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-[1-(2-naphthalen-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-(1-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[1-(2-phenanthren-9-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[1-(2-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;3-(3,5-diphenylphenyl)-1-(2-triphenylen-2-ylphenyl)dibenzofuran;2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-[1-(2-naphthalen-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-(1-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[1-(2-phenanthren-9-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 162192558 |
| Molecular Formula | C269H167N15O6 |
| Molecular Weight | 3705.39 g/mol |
| Exact Mass | 3702.32 |
| IUPAC Name | 2,4-diphenyl-6-[1-(2-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;3-(3,5-diphenylphenyl)-1-(2-triphenylen-2-ylphenyl)dibenzofuran;2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-[1-(2-naphthalen-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-(1-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[1-(2-phenanthren-9-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c4c(c3)oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4cc5ccccc5c5ccccc45)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4cccc5ccccc45)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C54H34O.C47H29N3O.C45H27N3O.C43H27N3O.C41H25N3O.C39H25N3O/c1-3-15-35(16-4-1)38-29-39(36-17-5-2-6-18-36)31-40(30-38)41-33-51(54-49-25-13-14-26-52(49)55-53(54)34-41)43-20-8-7-19-42(43)37-27-28-48-46-23-10-9-21-44(46)45-22-11-12-24-47(45)50(48)32-37;1-3-15-30(16-4-1)45-48-46(31-17-5-2-6-18-31)50-47(49-45)33-28-41(44-39-25-13-14-26-42(39)51-43(44)29-33)38-24-12-11-23-37(38)40-27-32-19-7-8-20-34(32)35-21-9-10-22-36(35)40;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)31-26-38(42-37-21-11-12-22-40(37)49-41(42)27-31)30-23-24-36-34-19-8-7-17-32(34)33-18-9-10-20-35(33)39(36)25-30;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)31-26-37(40-36-23-11-12-25-38(36)47-39(40)27-31)35-22-10-9-21-34(35)33-24-13-19-28-14-7-8-20-32(28)33;1-3-13-26(14-4-1)39-42-40(27-15-5-2-6-16-27)44-41(43-39)29-24-35(38-33-21-11-12-22-36(33)45-37(38)25-29)34-23-28-17-7-8-18-30(28)31-19-9-10-20-32(31)34;1-4-14-26(15-5-1)30-20-10-11-21-31(30)33-24-29(25-35-36(33)32-22-12-13-23-34(32)43-35)39-41-37(27-16-6-2-7-17-27)40-38(42-39)28-18-8-3-9-19-28/h1-34H;1-29H;1-27H;1-27H;1-25H;1-25H |
| InChIKey | ZQMSSVJYUIMNJY-UHFFFAOYSA-N |
| XLogP | 71.80 |
| TPSA | 272.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 290 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3705.39 |
| LogP ≤ 5 | 71.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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