About 9-(2-bromophenyl)-4-phenylfluoren-9-ol
9-(2-bromophenyl)-4-phenylfluoren-9-ol (PubChem CID 118049400) has the molecular formula C25H17BrO
and a molecular weight of 413.31 g/mol. Its IUPAC name is 9-(2-bromophenyl)-4-phenylfluoren-9-ol.
Molecular Properties
| Compound Name | 9-(2-bromophenyl)-4-phenylfluoren-9-ol |
| PubChem CID | 118049400 |
| Molecular Formula | C25H17BrO |
| Molecular Weight | 413.31 g/mol |
| Exact Mass | 412.05 |
| IUPAC Name | 9-(2-bromophenyl)-4-phenylfluoren-9-ol |
| SMILES | OC1(c2ccccc2Br)c2ccccc2-c2c(-c3ccccc3)cccc21 |
| InChI | InChI=1S/C25H17BrO/c26-23-16-7-6-14-21(23)25(27)20-13-5-4-11-19(20)24-18(12-8-15-22(24)25)17-9-2-1-3-10-17/h1-16,27H |
| InChIKey | PSZUEEVTJGRSEK-UHFFFAOYSA-N |
| XLogP | 6.38 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 413.31 |
| LogP ≤ 5 | 6.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
The IUPAC name of 9-(2-bromophenyl)-4-phenylfluoren-9-ol (CID 118049400) is 9-(2-bromophenyl)-4-phenylfluoren-9-ol.
What is the SMILES notation for 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
The canonical SMILES for 9-(2-bromophenyl)-4-phenylfluoren-9-ol is OC1(c2ccccc2Br)c2ccccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
The InChIKey is PSZUEEVTJGRSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO/c26-23-16-7-6-14-21(23)25(27)20-13-5-4-11-19(20)24-18(12-8-15-22(24)25)17-9-2-1-3-10-17/h1-16,27H.
What are the key properties of 9-(2-bromophenyl)-4-phenylfluoren-9-ol?
9-(2-bromophenyl)-4-phenylfluoren-9-ol has a molecular weight of 413.31 g/mol, XLogP of 6.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-4-phenylfluoren-9-ol is sourced from PubChem (CID 118049400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).