C160H100N12O4 — CID 164978651
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164978651) has the molecular formula C160H100N12O4 and a molecular weight of 2254.64 g/mol. Its IUPAC name is 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 164978651 |
| Molecular Formula | C160H100N12O4 |
| Molecular Weight | 2254.64 g/mol |
| Exact Mass | 2252.80 |
| IUPAC Name | 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(-c6cccc7oc8ccccc8c67)cccc5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5cccc(-c6cccc7oc8ccccc8c67)c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6oc7ccccc7c56)cccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(-c5cccc6oc7ccccc7c56)c4c3)n2)cc1 |
| InChI | InChI=1S/2C43H27N3O.2C37H23N3O/c1-3-11-28(12-4-1)29-21-24-32(25-22-29)42-44-41(31-13-5-2-6-14-31)45-43(46-42)33-26-23-30-15-9-17-34(37(30)27-33)35-18-10-20-39-40(35)36-16-7-8-19-38(36)47-39;1-3-11-28(12-4-1)29-21-23-31(24-22-29)42-44-41(30-13-5-2-6-14-30)45-43(46-42)33-25-26-34-32(27-33)15-9-17-35(34)36-18-10-20-39-40(36)37-16-7-8-19-38(37)47-39;1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)27-22-21-24-15-9-17-28(31(24)23-27)29-18-10-20-33-34(29)30-16-7-8-19-32(30)41-33;1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)27-21-22-28-26(23-27)15-9-17-29(28)30-18-10-20-33-34(30)31-16-7-8-19-32(31)41-33/h2*1-27H;2*1-23H |
| InChIKey | FDPZHBARWXTTCU-UHFFFAOYSA-N |
| XLogP | 41.70 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2254.64 |
| LogP ≤ 5 | 41.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |