Hexabenzocoronene

AFM image of hexabenzocoronene

Names

Systematic IUPAC name

Hexabenzo[bc,ef,hi,kl,no,qr]coronene

Identifiers

CAS Number

190-24-9

3D model (JSmol)

Interactive image

ChemSpider

119779

PubChem CID

136001

InChI

InChI=1S/C42H20/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-17,35H,18H2
Key: FYXBXZBCUROVBE-UHFFFAOYSA-N

SMILES

C12=C3C4=C5C(C6=C7C8=CC=C9)=C1C8=C9C%10=CC=CC(C%11=C3C(C%12=C4C(C(C5%13)=CC=CC%13=C6CC=C7)=CC=C%12)=CC=C%11)=C%102

Properties

Chemical formula

C₄₂H₁₈

Molar mass

522.61 g·mol⁻¹

Magnetic susceptibility (χ)

-346.0·10⁻⁶ cm³/mol

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Infobox references

Hexabenzocoronene refers to 2 polycyclic aromatic hydrocarbons with the molecular formula C₄₂H₁₈ and C₄₈H₂₄. They both consist of a central coronene molecule surrounded by 6 fused benzene rings.

The [bc,ef,hi,kl,no,qr] analogue (shown right) has been imaged by atomic force microscopy (AFM) providing the first example of a molecule in which disparities in bond order and bond lengths of the individual bonds can be distinguished.^[1]

References

↑ Gross, L.; Mohn, F.; Moll, N.; Schuler, B.; Criado, A.; Guitian, E.; Pena, D.; Gourdon, A.; Meyer, G. (2012). "Bond-Order Discrimination by Atomic Force Microscopy". Science. 337 (6100): 1326–9. PMID 22984067. doi:10.1126/science.1225621.

External links

Wikimedia Commons has media related to Hexabenzocoronene.

This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.