C152H88N12O8 — CID 163874534
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 163874534) has the molecular formula C152H88N12O8 and a molecular weight of 2210.45 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
| Compound Name | 2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 163874534 |
| Molecular Formula | C152H88N12O8 |
| Molecular Weight | 2210.45 g/mol |
| Exact Mass | 2208.68 |
| IUPAC Name | 2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc2cc(-c3ccc(-c4nc(-c5cccc6oc7ccccc7c56)nc(-c5cccc6oc7ccccc7c56)n4)cc3)ccc2c1.c1ccc2cc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1 |
| InChI | InChI=1S/C43H25N3O2.C39H23N3O2.C37H21N3O2.C33H19N3O2/c1-2-10-29-25-30(24-21-26(29)9-1)27-19-22-28(23-20-27)41-44-42(33-13-7-17-37-39(33)31-11-3-5-15-35(31)47-37)46-43(45-41)34-14-8-18-38-40(34)32-12-4-6-16-36(32)48-38;1-2-10-24(11-3-1)25-20-22-26(23-21-25)37-40-38(29-14-8-18-33-35(29)27-12-4-6-16-31(27)43-33)42-39(41-37)30-15-9-19-34-36(30)28-13-5-7-17-32(28)44-34;1-2-10-23-21-24(20-19-22(23)9-1)35-38-36(27-13-7-17-31-33(27)25-11-3-5-15-29(25)41-31)40-37(39-35)28-14-8-18-32-34(28)26-12-4-6-16-30(26)42-32;1-2-10-20(11-3-1)31-34-32(23-14-8-18-27-29(23)21-12-4-6-16-25(21)37-27)36-33(35-31)24-15-9-19-28-30(24)22-13-5-7-17-26(22)38-28/h1-25H;1-23H;1-21H;1-19H |
| InChIKey | PNSJTGQIUCFWPR-UHFFFAOYSA-N |
| XLogP | 40.33 |
| TPSA | 259.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2210.45 |
| LogP ≤ 5 | 40.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |