C143H89N9O3 — CID 165071346
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 165071346) has the molecular formula C143H89N9O3 and a molecular weight of 1981.35 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 165071346 |
| Molecular Formula | C143H89N9O3 |
| Molecular Weight | 1981.35 g/mol |
| Exact Mass | 1979.71 |
| IUPAC Name | 2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5c(-c6ccccc6)ccc6oc7cc8ccccc8cc7c56)n4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)n2)cc1 |
| InChI | InChI=1S/C49H31N3O.2C47H29N3O/c1-4-12-32(13-5-1)33-20-22-34(23-21-33)35-24-26-38(27-25-35)48-50-47(37-16-8-3-9-17-37)51-49(52-48)46-41(36-14-6-2-7-15-36)28-29-43-45(46)42-30-39-18-10-11-19-40(39)31-44(42)53-43;1-3-12-31(13-4-1)39-26-27-41-43(40-28-35-17-7-8-18-36(35)29-42(40)51-41)44(39)47-49-45(33-15-5-2-6-16-33)48-46(50-47)34-24-22-32(23-25-34)38-21-11-19-30-14-9-10-20-37(30)38;1-3-12-32(13-4-1)39-25-26-41-43(40-28-36-17-9-10-18-37(36)29-42(40)51-41)44(39)47-49-45(33-14-5-2-6-15-33)48-46(50-47)34-22-19-31(20-23-34)38-24-21-30-11-7-8-16-35(30)27-38/h1-31H;2*1-29H |
| InChIKey | SUVLPIGLCSHBET-UHFFFAOYSA-N |
| XLogP | 37.75 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 155 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1981.35 |
| LogP ≤ 5 | 37.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |