| Pubchem Sid | 488197616 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197616 |
| Canonical Smiles | C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCC=C |
| IUPAC Name | 9,9-bis(4-prop-2-enoxyphenyl)fluorene |
| InChIKey | OAGAWNXQZROGRJ-UHFFFAOYSA-N |
| INCHI | 1S/C31H26O2/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h3-20H,1-2,21-22H2 |
| Isomeric SMILES | C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OCC=C |
| Molecular Weight | 430.55 |
| Reaxy-Rn | 13824218 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13824218&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Fluorenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorenes |
| Alternative Parents | Phenoxy compounds Phenol ethers Alkyl aryl ethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Fluorene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
| External Descriptors | Not available |
| Melt Point(°C) | 87 °C |
|---|---|
| Molecular Weight | 430.500 g/mol |
| XLogP3 | 7.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 430.193 Da |
| Monoisotopic Mass | 430.193 Da |
| Topological Polar Surface Area | 18.500 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 583.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
C23101028