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CAS Number: 76727-11-2
6,13-diphenylpentacene

Structure

6,13-diphenylpentacene
Name: 6,13-diphenylpentacene
Synonyms:
General Information
Product Number: 76727112
CAS Registry Number:
76727-11-2
Name:
Pentacene, 6,​13-​diphenyl-
6,​13-​Diphenylpentacene 
 
Chemical Formula: C34H22
Exact Mass: 430.17
Molecular Weight: 430.54
m/z: 430.17 (100.0%), 431.18 (37.0%), 432.18 (6.7%)
Elemental Analysis: C, 94.85; H, 5.15
 
InChI: InChI=1S/C34H22/c1-3-11-23(12-4-1)33-29-19-25-15-7-9-17-27(25)21-31(29)
34(24-13-5-2-6-14-24)32-22-28-18-10-8-16-26(28)20-30(32)33/h1-22H
InChIKey: PFCSVQKCECNEAZ-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C2=C3C=C4C=CC=CC4=CC3=C(C5=CC6=CC=CC=C6C=C52)C7=CC=CC=C7
 
Thermal Properties Value Condition Note
Melting Point 328 °C   (6)CAS
Melting Point 328 °C   (7)IC
Melting Point >300 °C   (5)CAS

Specification

98%

References
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  4. (4) Miao, Qian; Journal of the American Chemical Society 2006, V128(4), P1340-1345 CAPLUS
  5. (5) Ono, Katsuhiko; Tetrahedron 2007, V63(39), P9699-9704 CAPLUS
  6. (6) Etienne, Andre; Compt. rend. 1954, V239, P64-6 CAPLUS
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  8. (8) Kim, Yeong-Eun; Molecular Crystals and Liquid Crystals 2006, V444, P137-143 CAPLUS
  9. (9) Wolak, Mason A.; Journal of Physical Chemistry B 2004, V108(18), P5492-5499 CAPLUS
  10. (10) Picciolo, Lisa C.; Proceedings of SPIE-The International Society for Optical Engineering 2002, V4464(Organic Light-Emitting Materials and Devices V), P383-395 CAPLUS
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