C144H87N9O3 — CID 161172742
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole (PubChem CID 161172742) has the molecular formula C144H87N9O3 and a molecular weight of 1991.34 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole.
| Compound Name | 3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 161172742 |
| Molecular Formula | C144H87N9O3 |
| Molecular Weight | 1991.34 g/mol |
| Exact Mass | 1989.69 |
| IUPAC Name | 3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole |
| SMILES | c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc12 |
| InChI | InChI=1S/3C48H29N3O/c1-6-18-40-32(12-1)33-13-2-7-19-41(33)49(40)30-24-26-44-38(28-30)34-14-3-8-20-42(34)50(44)31-25-27-45-39(29-31)35-15-4-9-21-43(35)51(45)46-22-11-17-37-36-16-5-10-23-47(36)52-48(37)46;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-22-25-45-39(27-30)35-13-3-8-18-43(35)50(45)31-23-26-46-40(28-31)36-14-4-9-19-44(36)51(46)32-21-24-38-37-15-5-10-20-47(37)52-48(38)29-32;1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)30-21-24-45-38(27-30)35-13-3-8-18-43(35)50(45)31-22-25-46-39(28-31)36-14-4-9-19-44(36)51(46)32-23-26-48-40(29-32)37-15-5-10-20-47(37)52-48/h3*1-29H |
| InChIKey | URKCWULTUSOMGZ-UHFFFAOYSA-N |
| XLogP | 38.63 |
| TPSA | 83.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1991.34 |
| LogP ≤ 5 | 38.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |