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799076

Sigma-Aldrich

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

Synonym(s):

Py-C

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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

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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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

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