C172H112Br4N4 — CID 158627410
2-(3-bromophenyl)-9-(9,9-diphenylfluoren-1-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-4-yl)carbazole (PubChem CID 158627410) has the molecular formula C172H112Br4N4 and a molecular weight of 2554.43 g/mol. Its IUPAC name is 2-(3-bromophenyl)-9-(9,9-diphenylfluoren-1-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-4-yl)carbazole.
| Compound Name | 2-(3-bromophenyl)-9-(9,9-diphenylfluoren-1-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-4-yl)carbazole |
|---|---|
| PubChem CID | 158627410 |
| Molecular Formula | C172H112Br4N4 |
| Molecular Weight | 2554.43 g/mol |
| Exact Mass | 2548.56 |
| IUPAC Name | 2-(3-bromophenyl)-9-(9,9-diphenylfluoren-1-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-4-yl)carbazole |
| SMILES | Brc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.Brc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3c2)c1.Brc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.Brc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3c2)c1 |
| InChI | InChI=1S/4C43H28BrN/c44-33-18-11-13-29(27-33)30-25-26-35-34-19-8-10-23-39(34)45(41(35)28-30)40-24-12-22-38-42(40)36-20-7-9-21-37(36)43(38,31-14-3-1-4-15-31)32-16-5-2-6-17-32;44-33-18-11-13-29(27-33)30-25-26-36-35-20-8-10-23-39(35)45(41(36)28-30)40-24-12-21-37-34-19-7-9-22-38(34)43(42(37)40,31-14-3-1-4-15-31)32-16-5-2-6-17-32;44-33-17-11-12-29(26-33)30-22-24-38-37-19-8-10-21-41(37)45(42(38)27-30)34-23-25-36-35-18-7-9-20-39(35)43(40(36)28-34,31-13-3-1-4-14-31)32-15-5-2-6-16-32;44-33-17-11-12-29(26-33)30-22-24-37-36-19-8-10-21-41(36)45(42(37)27-30)34-23-25-40-38(28-34)35-18-7-9-20-39(35)43(40,31-13-3-1-4-14-31)32-15-5-2-6-16-32/h4*1-28H |
| InChIKey | HYTNXTMHWVGZNP-UHFFFAOYSA-N |
| XLogP | 46.31 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2554.43 |
| LogP ≤ 5 | 46.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |