Skip to Content
Merck
All Photos(2)

Documents

799076

Sigma-Aldrich

N1,N1,N3,N3,N6,N6,N8,N8-Octakis(4-methoxyphenyl)-1,3,6,8-pyrenetetramine

Synonym(s):

Py-C

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Empirical Formula (Hill Notation):
C72H62N4O8
CAS Number:
1509916-12-4
Molecular Weight:
1111.28
UNSPSC Code:
12352200
PubChem Substance ID:
329768691
NACRES:
NA.23

Assay

≥98%

form

powder

mp

174-181 °C (decomposition)

λmax

492 nm in chlorobenzene (lit.)

Orbital energy

HOMO 5.11 eV (opt)
LUMO 2.74 eV (CV)

SMILES string

COC(C=C1)=CC=C1N(C2=CC=C(OC)C=C2)C3=C(C=C4)C(C(C4=C(N(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C=C7N(C8=CC=C(OC)C=C8)C9=CC=C(OC)C=C9)=C7C=C%10)=C%10C(N(C%11=CC=C(OC)C=C%11)C%12=CC=C(OC)C=C%12)=C3

InChI

1S/C72H62N4O8/c1-77-55-25-9-47(10-26-55)73(48-11-27-56(78-2)28-12-48)67-45-68(74(49-13-29-57(79-3)30-14-49)50-15-31-58(80-4)32-16-50)64-43-44-66-70(76(53-21-37-61(83-7)38-22-53)54-23-39-62(84-8)40-24-54)46-69(65-42-41-63(67)71(64)72(65)66)75(51-17-33-59(81-5)34-18-51)52-19-35-60(82-6)36-20-52/h9-46H,1-8H3

InChI key

JUQSGFMWZQXKJS-UHFFFAOYSA-N

Application

Hole transporting material (HTM) for use in inorganic-organic hybrid Perovskite solar cells

Other Notes

Device performance:
  • JSC = 20.2 mA/cm2
  • VOC = 0.89 V
  • FF = 69.4%
  • PCE = 12.4%
Device structure:
TiO2 (mesoporous)/CH3NH3PbI3/Py-C (HTM)/Au

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Nam Joong Jeon et al.
Journal of the American Chemical Society, 135(51), 19087-19090 (2013-12-10)
A set of three N,N-di-p-methoxyphenylamine-substituted pyrene derivatives have successfully been synthesized and characterized by (1)H/(13)C NMR spectroscopy, mass spectrometry, and elemental analysis. The optical and electronic structures of the pyrene derivatives were adjusted by controlling the ratio of N,N-di-p-methoxyphenylamine to

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service