C129H81N9O3 — CID 165057936
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 165057936) has the molecular formula C129H81N9O3 and a molecular weight of 1805.13 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165057936 |
| Molecular Formula | C129H81N9O3 |
| Molecular Weight | 1805.13 g/mol |
| Exact Mass | 1803.65 |
| IUPAC Name | 2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)c2)cc1 |
| InChI | InChI=1S/3C43H27N3O/c1-3-12-28(13-4-1)30-16-11-17-32(26-30)42-44-41(29-14-5-2-6-15-29)45-43(46-42)37-24-23-33(34-18-7-8-19-35(34)37)31-22-25-40-38(27-31)36-20-9-10-21-39(36)47-40;1-3-12-28(13-4-1)30-16-11-17-32(26-30)42-44-41(29-14-5-2-6-15-29)45-43(46-42)38-25-24-33(34-18-7-8-19-35(34)38)31-22-23-37-36-20-9-10-21-39(36)47-40(37)27-31;1-3-11-28(12-4-1)29-19-21-31(22-20-29)42-44-41(30-13-5-2-6-14-30)45-43(46-42)37-25-24-33(34-15-7-8-16-35(34)37)32-23-26-40-38(27-32)36-17-9-10-18-39(36)47-40/h3*1-27H |
| InChIKey | QSUAVIHXHMGHTP-UHFFFAOYSA-N |
| XLogP | 33.78 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 141 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1805.13 |
| LogP ≤ 5 | 33.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |