C153H99N3O6 — CID 158774587
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole (PubChem CID 158774587) has the molecular formula C153H99N3O6 and a molecular weight of 2075.49 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole.
| Compound Name | 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole |
|---|---|
| PubChem CID | 158774587 |
| Molecular Formula | C153H99N3O6 |
| Molecular Weight | 2075.49 g/mol |
| Exact Mass | 2073.75 |
| IUPAC Name | 3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole |
| SMILES | CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2cc(-c3ccc4c5cc(-c6cccc7c6oc6ccccc67)ccc5n(-c5ccccc5)c4c3)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5cccc6c5oc5ccccc56)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2oc2ccccc21 |
| InChI | InChI=1S/3C51H33NO2/c1-51(2)42-23-19-30(28-41(42)48-43(51)24-22-38-36-14-7-9-18-47(36)54-50(38)48)31-20-25-44-39(27-31)40-29-32(21-26-45(40)52(44)33-11-4-3-5-12-33)34-15-10-16-37-35-13-6-8-17-46(35)53-49(34)37;1-51(2)42-29-31(19-22-35(42)37-23-26-47-48(49(37)51)39-14-7-9-18-46(39)53-47)30-20-24-43-40(27-30)41-28-32(21-25-44(41)52(43)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-45(36)54-50(34)38;1-51(2)42-25-24-39-37-14-7-9-18-47(37)54-50(39)48(42)40-23-20-30(28-43(40)51)31-19-22-35-41-27-32(21-26-44(41)52(45(35)29-31)33-11-4-3-5-12-33)34-15-10-16-38-36-13-6-8-17-46(36)53-49(34)38/h3*3-29H,1-2H3 |
| InChIKey | IQHUPZORUOHLAV-UHFFFAOYSA-N |
| XLogP | 42.67 |
| TPSA | 93.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 162 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2075.49 |
| LogP ≤ 5 | 42.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |