C153H100Br3N3 — CID 158943768
2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole (PubChem CID 158943768) has the molecular formula C153H100Br3N3 and a molecular weight of 2220.22 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole.
| Compound Name | 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158943768 |
| Molecular Formula | C153H100Br3N3 |
| Molecular Weight | 2220.22 g/mol |
| Exact Mass | 2215.55 |
| IUPAC Name | 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole |
| SMILES | Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1 |
| InChI | InChI=1S/C55H36BrN.2C49H32BrN/c56-51-27-11-8-21-44(51)40-16-13-15-38(35-40)39-31-34-47-46-22-9-12-28-52(46)57(53(47)36-39)43-32-29-37(30-33-43)45-24-14-26-50-54(45)48-23-7-10-25-49(48)55(50,41-17-3-1-4-18-41)42-19-5-2-6-20-42;50-44-26-11-8-21-38(44)35-16-13-15-33(31-35)34-29-30-40-39-22-9-12-27-45(39)51(47(40)32-34)46-28-14-25-43-48(46)41-23-7-10-24-42(41)49(43,36-17-3-1-4-18-36)37-19-5-2-6-20-37;50-46-24-11-8-20-39(46)35-15-13-14-33(30-35)34-26-28-42-41-22-9-12-25-47(41)51(48(42)31-34)38-27-29-45-43(32-38)40-21-7-10-23-44(40)49(45,36-16-3-1-4-17-36)37-18-5-2-6-19-37/h1-36H;2*1-32H |
| InChIKey | JKONLSKXDPDXGW-UHFFFAOYSA-N |
| XLogP | 41.40 |
| TPSA | 14.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 159 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2220.22 |
| LogP ≤ 5 | 41.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |