C165H113N9O6 — CID 158143524
2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (PubChem CID 158143524) has the molecular formula C165H113N9O6 and a molecular weight of 2317.78 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 158143524 |
| Molecular Formula | C165H113N9O6 |
| Molecular Weight | 2317.78 g/mol |
| Exact Mass | 2315.88 |
| IUPAC Name | 2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine |
| SMILES | c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3c2-c2ccccc2C32CCCCC2)c1.c1ccc2c(c1)-c1c(-c3ccc(-c4ccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6ccc7oc8ccccc8c7c6)n5)cc4)cc3)cccc1C21CCCCC1.c1ccc2c(c1)-c1c(-c3ccc(-c4ccc(-c5nc(-c6cccc7oc8ccccc8c67)nc(-c6cccc7oc8ccccc8c67)n5)cc4)cc3)cccc1C21CCCCC1 |
| InChI | InChI=1S/2C57H39N3O2.C51H35N3O2/c1-8-33-57(34-9-1)45-19-5-2-13-40(45)51-39(16-10-20-46(51)57)37-29-25-35(26-30-37)36-27-31-38(32-28-36)54-58-55(43-17-11-23-49-52(43)41-14-3-6-21-47(41)61-49)60-56(59-54)44-18-12-24-50-53(44)42-15-4-7-22-48(42)62-50;1-8-31-57(32-9-1)47-15-5-2-13-44(47)53-41(14-10-16-48(53)57)37-23-19-35(20-24-37)36-21-25-38(26-22-36)54-58-55(39-27-29-51-45(33-39)42-11-3-6-17-49(42)61-51)60-56(59-54)40-28-30-52-46(34-40)43-12-4-7-18-50(43)62-52;1-8-28-51(29-9-1)41-24-5-2-18-38(41)45-33(19-13-25-42(45)51)31-14-10-15-32(30-31)48-52-49(39-22-11-20-36-34-16-3-6-26-43(34)55-46(36)39)54-50(53-48)40-23-12-21-37-35-17-4-7-27-44(35)56-47(37)40/h2-7,10-32H,1,8-9,33-34H2;2-7,10-30,33-34H,1,8-9,31-32H2;2-7,10-27,30H,1,8-9,28-29H2 |
| InChIKey | FUFSZEUKYYHCON-UHFFFAOYSA-N |
| XLogP | 44.04 |
| TPSA | 194.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2317.78 |
| LogP ≤ 5 | 44.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |