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213-46-7 | PICENE
CAS No: 213-46-7 Catalog No: AG003TRZ MDL No:MFCD00215857
Product Description
Catalog Number:
AG003TRZ
Chemical Name:
PICENE
CAS Number:
213-46-7
Molecular Formula:
C22H14
Molecular Weight:
278.3466
MDL Number:
MFCD00215857
IUPAC Name:
picene
InChI:
InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
InChI Key:
GBROPGWFBFCKAG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1
EC Number:
205-918-7
UNII:
F70R8ZBR7T
NSC Number:
406006
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.354g/mol
Monoisotopic Mass:
278.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Literature
| Title | Journal |
|---|---|
| Antagonistic and synergistic interactions during the binding of binary mixtures of polycyclic aromatic hydrocarbons to the aryl hydrocarbon receptor. | Toxicology in vitro : an international journal published in association with BIBRA 20180801 |
| Up-regulation of CYP1A1 and phase II enzymes by 5-ring isomeric polycyclic aromatic hydrocarbons in precision-cut rat hepatic slices: Importance of molecular shape. | Toxicology in vitro : an international journal published in association with BIBRA 20170401 |
| Polycyclic aromatic hydrocarbons in PM2.5 in Guangzhou, southern China: spatiotemporal patterns and emission sources. | Journal of hazardous materials 20121115 |
| Vibrational spectrum of solid picene (C22H14). | Journal of physics. Condensed matter : an Institute of Physics journal 20120627 |
| Accessing surface Brillouin zone and band structure of picene single crystals. | Physical review letters 20120601 |
| Absence of photoemission from the Fermi level in potassium intercalated picene and coronene films: structure, polaron, or correlation physics? | The Journal of chemical physics 20120407 |
| OH-functionalized open-ended armchair single-wall carbon nanotubes (SWCNT) studied by density functional theory. | Journal of molecular modeling 20120401 |
| Phonon dynamics and electron-phonon coupling in pristine picene. | Physical chemistry chemical physics : PCCP 20120207 |
| Theoretical study on oligoacenes and polycyclic aromatic hydrocarbons using the restricted active space self-consistent field method. | The journal of physical chemistry. A 20120112 |
| Superconductivity above 30 K in alkali-metal-doped hydrocarbon. | Scientific reports 20120101 |
| Improved efficiency of extraction of polycyclic aromatic hydrocarbons (PAHs) from the National Institute of Standards and Technology (NIST) Standard Reference Material Diesel Particulate Matter (SRM 2975) using accelerated solvent extraction. | Analytical and bioanalytical chemistry 20111201 |
| Metal-intercalated aromatic hydrocarbons: a new class of carbon-based superconductors. | Physical chemistry chemical physics : PCCP 20111006 |
| Intercalant and intermolecular phonon assisted superconductivity in K-doped picene. | Physical review letters 20110923 |
| Strong intramolecular electron-phonon coupling in the negatively charged aromatic superconductor picene. | Physical review letters 20110812 |
| Effect of oxygen on the electronic structure of highly crystalline picene films. | Journal of the American Chemical Society 20110706 |
| Organic superconductors. | Chemical record (New York, N.Y.) 20110601 |
| Facile synthesis of picene from 1,2-di(1-naphthyl)ethane by 9-fluorenone-sensitized photolysis. | Organic letters 20110520 |
| Glutathione s-transferases in pediatric cancer. | Frontiers in oncology 20110101 |
| Electronic absorption spectroscopy of polycyclic aromatic hydrocarbons (PAHs) radical cations generated in oleum: a superacid medium. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201 |
| Superconductivity in alkali-metal-doped picene. | Nature 20100304 |
| Sensitivity and bias of molecular marker-based aerosol source apportionment models to small conltibutions of coal combustion soot. | Environmental science & technology 20091015 |
| Air-assisted high-performance field-effect transistor with thin films of picene. | Journal of the American Chemical Society 20080813 |
| Characteristics of particulate carbon emissions from real-world Chinese coal combustion. | Environmental science & technology 20080715 |
| ANNINE-6plus, a voltage-sensitive dye with good solubility, strong membrane binding and high sensitivity. | European biophysics journal : EBJ 20080401 |
| Electron-intramolecular-vibration interactions in positively charged phenanthrene-edge-type hydrocarbons. | The Journal of chemical physics 20040215 |
| Functional characterization of global genomic DNA repair and its implications for cancer. | Mutation research 20031101 |
| p53 controls global nucleotide excision repair of low levels of structurally diverse benzo(g)chrysene-DNA adducts in human fibroblasts. | Cancer research 20020915 |
| Comparative carcinogenicity of picene and dibenz[a,h]anthracene in the rat. | Biochemical and biophysical research communications 20020111 |
| Inhibition of gap-junctional intercellular communication by environmentally occurring polycyclic aromatic hydrocarbons. | Toxicological sciences : an official journal of the Society of Toxicology 20020101 |
| Substituent effects and charge delocalization mode in chrysenium, benzo[c]phenanthrenium, and benzo[g]chrysenium cations: a stable ion and electrophilic substitution study. | The Journal of organic chemistry 20010209 |
| The cytosolic receptor binding affinities and AHH induction potencies of 29 polynuclear aromatic hydrocarbons. | Toxicology letters 19861101 |
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