Record Information |
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Version | 2.0 |
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Created at | 2020-11-23 19:40:04 UTC |
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Updated at | 2021-08-12 19:52:06 UTC |
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NP-MRD ID | NP0002773 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Fluorene |
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Provided By | BMRB |
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Description | Fluorene, also known as 2,3-benzindene or O-biphenylmethane, belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. Fluorene exists in all living organisms, ranging from bacteria to humans. Fluorene is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Fluorene is found in Angelica gigas and Zea mays. Fluorene was first documented in 2004 (PMID: 15120562). Based on a literature review a small amount of articles have been published on Fluorene (PMID: 17285163) (PMID: 15800860) (PMID: 16539455). |
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Structure | C1C2=CC=CC=C2C2=CC=CC=C12 InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 |
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Synonyms | Value | Source |
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2,2'-Methylenebiphenyl | ChEBI | 2,3-Benzindene | ChEBI | Diphenylenemethane | ChEBI | Fluoren | ChEBI | O-Biphenylenemethane | ChEBI | O-Biphenylmethane | ChEBI | 9H-Fluorene | HMDB |
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Chemical Formula | C13H10 |
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Average Mass | 166.2185 Da |
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Monoisotopic Mass | 166.07825 Da |
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IUPAC Name | 9H-fluorene |
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Traditional Name | fluorene |
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CAS Registry Number | Not Available |
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SMILES | C1C2=CC=CC=C2C2=CC=CC=C12 |
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InChI Identifier | InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 |
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InChI Key | NIHNNTQXNPWCJQ-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Species Where Detected | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Fluorenes |
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Sub Class | Not Available |
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Direct Parent | Fluorenes |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Garon D, Sage L, Wouessidjewe D, Seigle-Murandi F: Enhanced degradation of fluorene in soil slurry by Absidia cylindrospora and maltosyl-cyclodextrin. Chemosphere. 2004 Jul;56(2):159-66. doi: 10.1016/j.chemosphere.2004.02.019. [PubMed:15120562 ]
- Wang Z, Chen J, Yang P, Qiao X, Tian F: Polycyclic aromatic hydrocarbons in Dalian soils: distribution and toxicity assessment. J Environ Monit. 2007 Feb;9(2):199-204. doi: 10.1039/b617338c. Epub 2006 Dec 19. [PubMed:17285163 ]
- Rodrigues AC, Wuertz S, Brito AG, Melo LF: Fluorene and phenanthrene uptake by Pseudomonas putida ATCC 17514: kinetics and physiological aspects. Biotechnol Bioeng. 2005 May 5;90(3):281-9. doi: 10.1002/bit.20377. [PubMed:15800860 ]
- Marcon V, van der Vegt N, Wegner G, Raos G: Modeling of molecular packing and conformation in oligofluorenes. J Phys Chem B. 2006 Mar 23;110(11):5253-61. doi: 10.1021/jp056858y. [PubMed:16539455 ]
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