C160H92N12O8 — CID 158758823
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine (PubChem CID 158758823) has the molecular formula C160H92N12O8 and a molecular weight of 2310.57 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 158758823 |
| Molecular Formula | C160H92N12O8 |
| Molecular Weight | 2310.57 g/mol |
| Exact Mass | 2308.72 |
| IUPAC Name | 2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.c1ccc2c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1.c1ccc2c(c1)cc(-c1nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccccc5c34)n1)c1ccccc12.c1ccc2cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1 |
| InChI | InChI=1S/C45H27N3O2.C41H23N3O2.2C37H21N3O2/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)32-16-4-5-18-35(32)44-46-43(31-24-25-34-33-17-6-8-21-38(33)50-41(34)27-31)47-45(48-44)37-20-11-23-40-42(37)36-19-7-9-22-39(36)49-40;1-2-12-25-24(11-1)23-32(27-14-4-3-13-26(25)27)41-43-39(30-17-9-21-35-37(30)28-15-5-7-19-33(28)45-35)42-40(44-41)31-18-10-22-36-38(31)29-16-6-8-20-34(29)46-36;1-2-12-23-22(10-1)11-7-16-26(23)35-38-36(28-17-9-21-32-33(28)27-14-4-6-20-31(27)41-32)40-37(39-35)29-18-8-15-25-24-13-3-5-19-30(24)42-34(25)29;1-2-9-23-20-24(17-16-22(23)8-1)35-38-36(25-18-19-32-29(21-25)26-10-3-5-13-30(26)41-32)40-37(39-35)28-12-7-15-33-34(28)27-11-4-6-14-31(27)42-33/h1-27H;1-23H;2*1-21H |
| InChIKey | IOKGRENIIVCZQC-UHFFFAOYSA-N |
| XLogP | 42.63 |
| TPSA | 259.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2310.57 |
| LogP ≤ 5 | 42.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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