C220H140N12O4 — CID 165032297
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 165032297) has the molecular formula C220H140N12O4 and a molecular weight of 3015.62 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.
| Compound Name | 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 165032297 |
| Molecular Formula | C220H140N12O4 |
| Molecular Weight | 3015.62 g/mol |
| Exact Mass | 3013.11 |
| IUPAC Name | 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccc9ccccc9c8)cc7)n6)ccc5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cccc9ccccc89)cc7)n6)ccc5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9ccccc9c8)c7)n6)ccc5c34)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc4oc5cc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9ccccc89)c7)n6)ccc5c34)c2)cc1 |
| InChI | InChI=1S/4C55H35N3O/c1-4-15-36(16-5-1)43-32-44(37-17-6-2-7-18-37)34-45(33-43)48-27-14-28-50-52(48)49-30-29-42(35-51(49)59-50)55-57-53(39-20-8-3-9-21-39)56-54(58-55)41-24-12-23-40(31-41)47-26-13-22-38-19-10-11-25-46(38)47;1-4-14-36(15-5-1)43-32-44(37-16-6-2-7-17-37)34-45(33-43)48-24-13-25-50-52(48)49-31-30-42(35-51(49)59-50)55-57-53(40-19-8-3-9-20-40)56-54(58-55)41-28-26-39(27-29-41)47-23-12-21-38-18-10-11-22-46(38)47;1-4-14-36(15-5-1)45-32-46(37-16-6-2-7-17-37)34-47(33-45)48-24-13-25-50-52(48)49-29-28-44(35-51(49)59-50)55-57-53(39-19-8-3-9-20-39)56-54(58-55)43-23-12-22-41(31-43)42-27-26-38-18-10-11-21-40(38)30-42;1-4-13-36(14-5-1)45-32-46(37-15-6-2-7-16-37)34-47(33-45)48-21-12-22-50-52(48)49-30-29-44(35-51(49)59-50)55-57-53(40-18-8-3-9-19-40)56-54(58-55)41-26-23-39(24-27-41)43-28-25-38-17-10-11-20-42(38)31-43/h4*1-35H |
| InChIKey | MVSTWDWGWCRFTH-UHFFFAOYSA-N |
| XLogP | 58.37 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3015.62 |
| LogP ≤ 5 | 58.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |