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Substance Name: Pentacene
RN: 135-48-8
UNII: 9FQU5HA0UY
InChIKey: SLIUAWYAILUBJU-UHFFFAOYSA-N

Note

  • Is found that the electronic structure of the pentacene-rubrene interface has a strong dependence on interface characteristics which depends on the order of the layers used.

Molecular Formula

  • C22-H14

Molecular Weight

  • 278.353
 
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Names and Synonyms

Name of Substance

  • Pentacene

Synonyms

  • 2,3:6,7-Dibenzanthracene
  • Benzo(b)naphthacene
  • EINECS 205-193-7
  • lin-Dibenzanthracene
  • lin-Naphthoanthracene
  • NSC 90784
  • Pentacene
  • UNII-9FQU5HA0UY

Systematic Name

  • Pentacene

Registry Numbers

CAS Registry Number

  • 135-48-8

FDA UNII

  • 9FQU5HA0UY

System Generated Number

  • 0000135488

Structure Descriptors

InChI

1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H

InChIKey

SLIUAWYAILUBJU-UHFFFAOYSA-N

Smiles

c12c(cc3cc4ccccc4cc3c1)cc1ccccc1c2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 257 deg C   EXP
log P (octanol-water) 7.11 (none)   EXP
Water Solubility 1.08E-03 mg/L 25 EST
Vapor Pressure 3.73E-09 mm Hg 25 EST
Henry's Law Constant 4.89E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.