About 9-(4-ethoxyphenyl)-9-phenylfluorene
9-(4-ethoxyphenyl)-9-phenylfluorene (PubChem CID 135250989) has the molecular formula C27H22O
and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-(4-ethoxyphenyl)-9-phenylfluorene.
Molecular Properties
| Compound Name | 9-(4-ethoxyphenyl)-9-phenylfluorene |
| PubChem CID | 135250989 |
| Molecular Formula | C27H22O |
| Molecular Weight | 362.47 g/mol |
| Exact Mass | 362.17 |
| IUPAC Name | 9-(4-ethoxyphenyl)-9-phenylfluorene |
| SMILES | CCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/C27H22O/c1-2-28-22-18-16-21(17-19-22)27(20-10-4-3-5-11-20)25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-19H,2H2,1H3 |
| InChIKey | JJPGTGYVSIUKAQ-UHFFFAOYSA-N |
| XLogP | 6.45 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 28 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 362.47 |
| LogP ≤ 5 | 6.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 9-(4-ethoxyphenyl)-9-phenylfluorene?
The IUPAC name of 9-(4-ethoxyphenyl)-9-phenylfluorene (CID 135250989) is 9-(4-ethoxyphenyl)-9-phenylfluorene.
What is the SMILES notation for 9-(4-ethoxyphenyl)-9-phenylfluorene?
The canonical SMILES for 9-(4-ethoxyphenyl)-9-phenylfluorene is CCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-ethoxyphenyl)-9-phenylfluorene?
The InChIKey is JJPGTGYVSIUKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-2-28-22-18-16-21(17-19-22)27(20-10-4-3-5-11-20)25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-19H,2H2,1H3.
What are the key properties of 9-(4-ethoxyphenyl)-9-phenylfluorene?
9-(4-ethoxyphenyl)-9-phenylfluorene has a molecular weight of 362.47 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenyl)-9-phenylfluorene is sourced from PubChem (CID 135250989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).