Pentacene - CAS 135-48-8

Catalog:	BB008184
Product Name:	Pentacene
CAS:	135-48-8
Synonyms:	pentacene

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Computed Properties

IUPAC Name:	pentacene
Description:	Pentacene (CAS# 135-48-8) is a useful research chemical.
Molecular Weight:	278.35
Molecular Formula:	C22H14
Canonical SMILES:	C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1
InChI:	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
InChI Key:	SLIUAWYAILUBJU-UHFFFAOYSA-N
Boiling Point:	524.7 °C at 760 mmHg
Melting Point:	372-374 °C (subl.)
Purity:	95 %
Density:	1.232 g/cm³
Appearance:	Solid
Storage:	0-6 °C
MDL:	MFCD00003710
LogP:	6.29940

Publication Number	Title	Priority Date
US-9224955-B1	Purifying method for organic optoelectronic material	20141031
US-9219099-B1	Memory structure and preparation method thereof	20140904
US-2015380662-A1	Organic light-emitting device	20140630
EP-2960315-A1	Organic electroluminescent device	20140627
WO-2015197096-A1	Preparation and medical use of triazenes	20140627

PMID	Publication Date	Title	Journal
29471110	20180801	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
28104439	20170401	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
24462828	20140615	Robust ZnO nanoparticle embedded memory device using vancomycin conjugate and its biorecognition for electrical charging node	Biosensors & bioelectronics
23053024	20121107	Structural and optical properties of pentacene films grown on differently oriented ZnO surfaces	Journal of physics. Condensed matter : an Institute of Physics journal
22974132	20121024	Electric bistability induced by incorporating self-assembled monolayers/aggregated clusters of azobenzene derivatives in pentacene-based thin-film transistors	ACS applied materials & interfaces

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Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	278.109550447
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	278.109550447
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.7