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Kekulene

Kekulene
Names
Preferred IUPAC name
15,23:16,22-Di(metheno)naphtho[2,3-a]tetrapheno[3,2-o]pentaphene
Other names
[12]–Coronaphen, [12]Circulene
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
  • InChI=1S/C48H24/c1-2-26-14-28-5-6-30-16-32-9-10-34-18-36-12-11-35-17-33-8-7-31-15-29-4-3-27-13-25(1)37-19-39(27)41(29)21-43(31)45(33)23-47(35)48(36)24-46(34)44(32)22-42(30)40(28)20-38(26)37/h1-24H ☒N
    Key: TYPKKLUFDMGLAC-UHFFFAOYSA-N ☒N
  • InChI=1/C48H24/c1-2-26-14-28-5-6-30-16-32-9-10-34-18-36-12-11-35-17-33-8-7-31-15-29-4-3-27-13-25(1)37-19-39(27)41(29)21-43(31)45(33)23-47(35)48(36)24-46(34)44(32)22-42(30)40(28)20-38(26)37/h1-24H
    Key: TYPKKLUFDMGLAC-UHFFFAOYAP
  • C1=CC2=CC3=C4C=C2C5=CC6=C(C=CC7=CC8=C(C=C76)C9=CC2=C(C=CC6=C2C=C2C(=C6)C=CC6=C2C=C4C(=C6)C=C3)C=C9C=C8)C=C51
Properties
C48H24
Molar mass 600.720 g·mol−1
Density 1.46 g/cm3 (calc.)[1]
Structure[1]
monoclinic, C2/c
a = 2795.1(4) pm, b = 457.9(1) pm, c = 2268.0(2) pm
α = 90°, β = 109.64(1)°, γ = 90°
4
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

Kekulene is a polycyclic aromatic hydrocarbon which consists of 12 fused benzene rings arranged in a circle. It is therefore classified as a [12]-circulene with the chemical formula C48H24. It was first synthesized in 1978,[2] and was named in honor of August Kekulé, the discoverer of the structure of the benzene molecule.

  1. ^ a b Staab, Heinz A.; Diederich, François; Krieger, Claus; Schweitzer, Dieter (1983). "Cycloarenes, a New Class of Aromatic Compounds, II. Molecular Structure and Spectroscopic Properties of Kekulene". Chemische Berichte. 116 (10): 3504–3512. doi:10.1002/cber.19831161022.
  2. ^ Staab, Heinz A.; Diederich, François (October 1983). "Cycloarenes, a New Class of Aromatic Compounds, I. Synthesis of Kekulene". Chemische Berichte. 116 (10): 3487–3503. doi:10.1002/cber.19831161021.

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كيكولين Arabic Kekulen German ککولن FA Kekulène French Kekulene Italian ケクレン Japanese Кекулен MK Kekulen Polish Kekuleno Portuguese Кекулен Russian

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