C168H104N12O4 — CID 164952293
2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164952293) has the molecular formula C168H104N12O4 and a molecular weight of 2354.76 g/mol. Its IUPAC name is 2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 164952293 |
| Molecular Formula | C168H104N12O4 |
| Molecular Weight | 2354.76 g/mol |
| Exact Mass | 2352.83 |
| IUPAC Name | 2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc(-c5cccc6oc7ccccc7c56)cc5ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cccc(-c6cccc7oc8ccccc8c67)c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4cccc(-c5cccc6oc7ccccc7c56)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cccc(-c5cccc6oc7ccccc7c56)c34)n2)cc1 |
| InChI | InChI=1S/C47H29N3O.C43H27N3O.C41H25N3O.C37H23N3O/c1-2-11-30(12-3-1)32-21-24-33(25-22-32)45-48-46(36-26-23-31-13-4-5-14-34(31)27-36)50-47(49-45)41-29-37(28-35-15-6-7-16-38(35)41)39-18-10-20-43-44(39)40-17-8-9-19-42(40)51-43;1-3-12-28(13-4-1)29-24-26-32(27-25-29)42-44-41(31-14-5-2-6-15-31)45-43(46-42)36-21-10-17-30-16-9-19-33(39(30)36)34-20-11-23-38-40(34)35-18-7-8-22-37(35)47-38;1-2-12-28(13-3-1)39-42-40(30-24-23-26-11-4-5-14-29(26)25-30)44-41(43-39)34-20-9-16-27-15-8-18-31(37(27)34)32-19-10-22-36-38(32)33-17-6-7-21-35(33)45-36;1-3-12-25(13-4-1)35-38-36(26-14-5-2-6-15-26)40-37(39-35)30-21-10-17-24-16-9-19-27(33(24)30)28-20-11-23-32-34(28)29-18-7-8-22-31(29)41-32/h1-29H;1-27H;1-25H;1-23H |
| InChIKey | ARWYWXKLIYZWSP-UHFFFAOYSA-N |
| XLogP | 44.01 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2354.76 |
| LogP ≤ 5 | 44.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |