C166H106N12O4-2 — CID 163951650
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen (PubChem CID 163951650) has the molecular formula C166H106N12O4-2 and a molecular weight of 2332.75 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen.
| Compound Name | 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen |
|---|---|
| PubChem CID | 163951650 |
| Molecular Formula | C166H106N12O4-2 |
| Molecular Weight | 2332.75 g/mol |
| Exact Mass | 2330.85 |
| IUPAC Name | 2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen |
| SMILES | [H-].[H-].[H][H].c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5ccccc45)n3)ccc2c1 |
| InChI | InChI=1S/C45H27N3O.C43H27N3O.C41H25N3O.C37H23N3O.H2.2H/c1-3-12-30-26-32(22-20-28(30)10-1)43-46-44(33-23-21-29-11-2-4-13-31(29)27-33)48-45(47-43)38-25-24-36(34-14-5-6-15-35(34)38)37-17-9-19-41-42(37)39-16-7-8-18-40(39)49-41;1-3-12-28(13-4-1)29-22-24-31(25-23-29)42-44-41(30-14-5-2-6-15-30)45-43(46-42)36-27-26-34(32-16-7-8-17-33(32)36)35-19-11-21-39-40(35)37-18-9-10-20-38(37)47-39;1-2-12-27(13-3-1)39-42-40(29-22-21-26-11-4-5-14-28(26)25-29)44-41(43-39)34-24-23-32(30-15-6-7-16-31(30)34)33-18-10-20-37-38(33)35-17-8-9-19-36(35)45-37;1-3-12-24(13-4-1)35-38-36(25-14-5-2-6-15-25)40-37(39-35)30-23-22-28(26-16-7-8-17-27(26)30)29-19-11-21-33-34(29)31-18-9-10-20-32(31)41-33;;;/h1-27H;1-27H;1-25H;1-23H;1H;;/q;;;;;2*-1 |
| InChIKey | RZVIEMVQNPTERI-UHFFFAOYSA-N |
| XLogP | 43.97 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2332.75 |
| LogP ≤ 5 | 43.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |