C135H90N4O2 — CID 159534848
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 159534848) has the molecular formula C135H90N4O2 and a molecular weight of 1800.23 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
| Compound Name | 2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 159534848 |
| Molecular Formula | C135H90N4O2 |
| Molecular Weight | 1800.23 g/mol |
| Exact Mass | 1798.71 |
| IUPAC Name | 2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc21.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7oc8ccccc8c67)ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc43)c2)cc1 |
| InChI | InChI=1S/C51H36N2.2C42H27NO/c1-51(2)45-20-9-6-17-39(45)40-26-25-38(32-46(40)51)53-48-22-11-8-19-42(48)44-31-36(24-28-50(44)53)35-23-27-49-43(30-35)41-18-7-10-21-47(41)52(49)37-16-12-15-34(29-37)33-13-4-3-5-14-33;1-2-9-28(10-3-1)31-11-8-12-34(25-31)43-39-15-6-4-13-35(39)36-23-21-33(27-40(36)43)30-19-17-29(18-20-30)32-22-24-42-38(26-32)37-14-5-7-16-41(37)44-42;1-2-9-28(10-3-1)29-17-19-30(20-18-29)31-21-24-33(25-22-31)43-38-14-6-4-11-35(38)37-27-32(23-26-39(37)43)34-13-8-16-41-42(34)36-12-5-7-15-40(36)44-41/h3-32H,1-2H3;2*1-27H |
| InChIKey | MDLQJNNSRKGXEW-UHFFFAOYSA-N |
| XLogP | 36.89 |
| TPSA | 46.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 141 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1800.23 |
| LogP ≤ 5 | 36.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |