C118H74N8O2 — CID 158529955
2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 158529955) has the molecular formula C118H74N8O2 and a molecular weight of 1635.94 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.
| Compound Name | 2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 158529955 |
| Molecular Formula | C118H74N8O2 |
| Molecular Weight | 1635.94 g/mol |
| Exact Mass | 1634.59 |
| IUPAC Name | 2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8oc9ccccc9c8c7)cc65)c4)n3)cc21.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C64H38N4O.C54H36N4O/c1-2-16-39(17-3-1)61-65-62(67-63(66-61)50-25-15-29-55-60(50)49-24-6-11-28-54(49)64(55)52-26-9-4-20-44(52)45-21-5-10-27-53(45)64)42-18-14-19-43(36-42)68-56-30-12-7-22-46(56)47-34-32-41(38-57(47)68)40-33-35-59-51(37-40)48-23-8-13-31-58(48)69-59;1-54(2)45-20-9-6-17-39(45)40-26-24-37(31-46(40)54)53-56-51(33-13-4-3-5-14-33)55-52(57-53)36-15-12-16-38(29-36)58-47-21-10-7-18-41(47)42-27-23-35(32-48(42)58)34-25-28-50-44(30-34)43-19-8-11-22-49(43)59-50/h1-38H;3-32H,1-2H3 |
| InChIKey | HNFXXUCMVGIUFH-UHFFFAOYSA-N |
| XLogP | 29.72 |
| TPSA | 113.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 128 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1635.94 |
| LogP ≤ 5 | 29.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |