C162H99N9O3 — CID 165110423
9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole (PubChem CID 165110423) has the molecular formula C162H99N9O3 and a molecular weight of 2219.63 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole.
| Compound Name | 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 165110423 |
| Molecular Formula | C162H99N9O3 |
| Molecular Weight | 2219.63 g/mol |
| Exact Mass | 2217.79 |
| IUPAC Name | 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole |
| SMILES | c1ccc2c(c1)oc1c(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cc12 |
| InChI | InChI=1S/3C54H33N3O/c1-7-23-45-38(15-1)39-16-2-8-24-46(39)55(45)35-31-34(32-36(33-35)56-47-25-9-3-17-40(47)41-18-4-10-26-48(41)56)37-21-13-28-50-53(37)44-20-5-11-27-49(44)57(50)51-29-14-22-43-42-19-6-12-30-52(42)58-54(43)51;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)45-19-5-11-25-50(45)55(51)35-28-29-44-43-18-6-12-27-52(43)58-53(44)33-35;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)44-19-5-11-25-50(44)55(51)35-28-29-53-45(33-35)43-18-6-12-27-52(43)58-53/h3*1-33H |
| InChIKey | ZVWRLJPFOLFEBX-UHFFFAOYSA-N |
| XLogP | 43.63 |
| TPSA | 83.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2219.63 |
| LogP ≤ 5 | 43.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |