C125H77N9O3 — CID 165077353
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 165077353) has the molecular formula C125H77N9O3 and a molecular weight of 1753.05 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 165077353 |
| Molecular Formula | C125H77N9O3 |
| Molecular Weight | 1753.05 g/mol |
| Exact Mass | 1751.61 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cc(-c6ccc7ccccc7c6)ccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4oc5cccc(-c6ccc7ccccc7c6)c5c4c3)n2)cc1 |
| InChI | InChI=1S/C43H27N3O.2C41H25N3O/c1-2-9-28(10-3-1)30-17-22-32(23-18-30)41-44-42(33-24-19-31(20-25-33)35-26-21-29-11-4-5-12-34(29)27-35)46-43(45-41)37-14-8-16-39-40(37)36-13-6-7-15-38(36)47-39;1-2-11-28(12-3-1)39-42-40(32-20-18-27-10-5-7-14-30(27)24-32)44-41(43-39)33-21-22-36-35(25-33)38-34(15-8-16-37(38)45-36)31-19-17-26-9-4-6-13-29(26)23-31;1-2-10-28(11-3-1)39-42-40(33-17-15-27-9-5-7-13-30(27)23-33)44-41(43-39)34-19-21-37-36(24-34)35-20-18-32(25-38(35)45-37)31-16-14-26-8-4-6-12-29(26)22-31/h1-27H;2*1-25H |
| InChIKey | UNLZIKAGTZZHTR-UHFFFAOYSA-N |
| XLogP | 32.75 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1753.05 |
| LogP ≤ 5 | 32.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |