What is the molecular formula of Pentacene according to the reference?

The molecular formula of Pentacene is C22H14.

When was Pentacene created and last modified according to the reference?

Pentacene was created on 2005-03-26 and last modified on 2023-12-30.

How many ortho-fused benzene rings does Pentacene consist of?

Pentacene consists of five ortho-fused benzene rings.

What is Pentacene described as in terms of acenes in the reference?

Pentacene is described as an acene and a member of pentacenes.

How is Pentacene defined in the Toxin and Toxin Target Database (T3DB)?

Pentacene is defined as one of over 100 different polycyclic aromatic hydrocarbons (PAHs) in the T3DB.

What is the IUPAC name of Pentacene according to the reference?

The IUPAC name of Pentacene is pentacene.

What is the InChIKey of Pentacene according to the reference?

The InChIKey of Pentacene is SLIUAWYAILUBJU-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Pentacene have according to the computed properties?

Pentacene has 0 hydrogen bond donor counts.

What is the heavy atom count of Pentacene according to the computed properties?

The heavy atom count of Pentacene is 22.

What is the XLogP3 value of Pentacene according to the reference?

The XLogP3 value of Pentacene is 6.7.

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Pentacene

Name: Pentacene
SKU: ACM135488-4
Rating: 5 (1 reviews)

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Catalog NumberACM135488-4

CAS Number135-48-8

CategoryOrganic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials; Sublimed Materials; Other Materials

Synonyms

Lin-Naphthoanthracene; 2,3:6,7-Dibenzanthracene

Description

TGA/DSC Lot specific traces available upon request

IUPAC Name

Pentacene

Molecular Weight

278.34

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

372 - 374 °C

Melting Point

356.16 °C

Flash Point

264.5 ºC

Purity

98%

Density

1.1489 g/ml

Appearance

Powder or crystal

Application

Pentacene can be used as an active material for various optoelectronic and electronic applications such as organic light emitting diodes (OLEDs), organic thin film transistors (OTFTs) and organic photovoltaic cells (OPVs).

Storage

room temp

Assay

≥99.9% trace metals basis

EC Number

205-193-7

Exact Mass

278.11000

Form

ITO/pentacene/C60/BCP/Al[7]• Short-circuit current density (Jsc): 15 mA/cm² • Open-circuit voltage (Voc): 0.36 V• Fill Factor (FF): 0.5• Power Conversion Efficiency (PCE): 2.7 %

MDL Number

MFCD00003710

Packaging

1 g in glass bottle

Safety Description

S24/25

Stability

Stable, but air and light sensitive. Incompatible with strong oxidizing agents.

WGK Germany

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