C121H75N9O3 — CID 165088202
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165088202) has the molecular formula C121H75N9O3 and a molecular weight of 1702.99 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 165088202 |
| Molecular Formula | C121H75N9O3 |
| Molecular Weight | 1702.99 g/mol |
| Exact Mass | 1701.60 |
| IUPAC Name | 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1 |
| InChI | InChI=1S/2C41H25N3O.C39H25N3O/c1-3-9-30-23-33(19-15-26(30)7-1)40-42-39(43-41(44-40)34-20-16-27-8-2-4-10-31(27)24-34)29-17-13-28(14-18-29)32-21-22-38-36(25-32)35-11-5-6-12-37(35)45-38;1-2-11-27(12-3-1)39-42-40(30-19-18-26-10-4-5-13-28(26)24-30)44-41(43-39)35-22-21-31(32-14-6-7-15-33(32)35)29-20-23-38-36(25-29)34-16-8-9-17-37(34)45-38;1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)31-19-10-17-29(25-31)28-16-9-18-30(24-28)32-21-11-23-35-36(32)33-20-7-8-22-34(33)43-35/h2*1-25H;1-25H |
| InChIKey | WGEFKENPEQSRHB-UHFFFAOYSA-N |
| XLogP | 31.60 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 133 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1702.99 |
| LogP ≤ 5 | 31.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |