C137H83N9O4 — CID 158453153
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158453153) has the molecular formula C137H83N9O4 and a molecular weight of 1919.23 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158453153 |
| Molecular Formula | C137H83N9O4 |
| Molecular Weight | 1919.23 g/mol |
| Exact Mass | 1917.66 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/2C47H29N3O.C43H25N3O2/c1-2-10-30(11-3-1)32-18-21-33(22-19-32)45-48-46(36-23-20-31-12-4-5-13-34(31)28-36)50-47(49-45)41-26-25-37(38-14-6-7-15-39(38)41)35-24-27-44-42(29-35)40-16-8-9-17-43(40)51-44;1-2-10-30(11-3-1)32-18-21-33(22-19-32)45-48-46(36-23-20-31-12-4-5-13-34(31)28-36)50-47(49-45)42-27-26-37(38-14-6-7-15-39(38)42)35-24-25-41-40-16-8-9-17-43(40)51-44(41)29-35;1-2-12-26(13-3-1)41-44-42(46-43(45-41)34-19-11-23-38-40(34)33-17-7-9-21-36(33)48-38)31-25-24-29(27-14-4-5-15-28(27)31)30-18-10-22-37-39(30)32-16-6-8-20-35(32)47-37/h2*1-29H;1-25H |
| InChIKey | HEGANSCWEUVJHH-UHFFFAOYSA-N |
| XLogP | 36.32 |
| TPSA | 168.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1919.23 |
| LogP ≤ 5 | 36.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |