C153H111N9O3 — CID 157181892
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 157181892) has the molecular formula C153H111N9O3 and a molecular weight of 2123.63 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 157181892 |
| Molecular Formula | C153H111N9O3 |
| Molecular Weight | 2123.63 g/mol |
| Exact Mass | 2121.88 |
| IUPAC Name | 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)cc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)cc4)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/3C51H37N3O/c1-3-12-36(13-4-1)48-52-49(54-50(53-48)43-17-11-16-42-41-15-6-8-19-46(41)55-47(42)43)37-26-24-34(25-27-37)33-20-22-35(23-21-33)38-28-29-40-39-14-5-7-18-44(39)51(45(40)32-38)30-9-2-10-31-51;1-3-11-36(12-4-1)48-52-49(54-50(53-48)39-26-28-47-43(31-39)42-14-6-8-16-46(42)55-47)37-23-21-34(22-24-37)33-17-19-35(20-18-33)38-25-27-41-40-13-5-7-15-44(40)51(45(41)32-38)29-9-2-10-30-51;1-3-11-36(12-4-1)48-52-49(54-50(53-48)39-26-28-43-42-14-6-8-16-46(42)55-47(43)32-39)37-23-21-34(22-24-37)33-17-19-35(20-18-33)38-25-27-41-40-13-5-7-15-44(40)51(45(41)31-38)29-9-2-10-30-51/h1,3-8,11-29,32H,2,9-10,30-31H2;2*1,3-8,11-28,31-32H,2,9-10,29-30H2 |
| InChIKey | AOQVKAKIZDADQX-UHFFFAOYSA-N |
| XLogP | 40.01 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2123.63 |
| LogP ≤ 5 | 40.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |