C168H101N7O5 — CID 160575658
2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole (PubChem CID 160575658) has the molecular formula C168H101N7O5 and a molecular weight of 2297.70 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole.
| Compound Name | 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole |
|---|---|
| PubChem CID | 160575658 |
| Molecular Formula | C168H101N7O5 |
| Molecular Weight | 2297.70 g/mol |
| Exact Mass | 2295.79 |
| IUPAC Name | 2-dibenzofuran-2-yl-1-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-1-(9-dibenzofuran-4-ylcarbazol-4-yl)-9-phenylcarbazole;2-dibenzofuran-2-yl-9-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-c6c(-c7ccc8oc9ccccc9c8c7)ccc7c8ccccc8n(-c8ccccc8)c67)cccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4ccc5oc6ccccc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5c4c4ccccc4n5-c4cccc5c4oc4ccccc45)c32)cc1 |
| InChI | InChI=1S/C60H37N3O.2C54H32N2O2/c1-3-16-39(17-4-1)61-51-25-11-8-21-44(51)49-37-41(31-34-54(49)61)62-53-27-13-9-23-47(53)58-48(24-15-28-55(58)62)59-42(38-30-35-57-50(36-38)45-22-10-14-29-56(45)64-57)32-33-46-43-20-7-12-26-52(43)63(60(46)59)40-18-5-2-6-19-40;1-2-14-34(15-3-1)55-44-22-8-4-16-36(44)39-30-29-35(33-28-31-50-43(32-33)38-18-7-10-26-48(38)57-50)52(53(39)55)42-21-13-24-46-51(42)41-19-5-9-23-45(41)56(46)47-25-12-20-40-37-17-6-11-27-49(37)58-54(40)47;1-2-13-34(14-3-1)56-45-20-8-4-15-37(45)40-28-27-36(33-25-29-50-43(31-33)38-16-6-10-23-48(38)57-50)53(54(40)56)42-19-12-22-47-52(42)41-18-5-9-21-46(41)55(47)35-26-30-51-44(32-35)39-17-7-11-24-49(39)58-51/h1-37H;2*1-32H |
| InChIKey | RBCOZTGTTMGMTI-UHFFFAOYSA-N |
| XLogP | 46.24 |
| TPSA | 100.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2297.70 |
| LogP ≤ 5 | 46.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |