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Merck
CN

904899

Spiro[9H-fluorene-9,9′-[9H]xanthene]-2,7-diamine

Synonym(s):

N,N,N′,N′-tetrakis(4-methoxyphenyl)spiro[fluorene-9,9′-xanthene]-2,7-diamine, X59

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About This Item

Empirical Formula (Hill Notation):
C53H42N2O5
CAS Number:
Molecular Weight:
786.91
MDL number:
UNSPSC Code:
12352116
NACRES:
NA.23
eCl@ss:
32150312
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description

Band gap: Eg = 3.05 eV (lit), Hole Mobility: 5.5 x 10-5 cm2/Vs (lit)

assay

≥98%

form

powder

color

yellow

conductivity

1.9 x 10-4 S/cm (lit)

orbital energy

HOMO -5.15 eV , LUMO -2.10 eV 

application(s)

solar energy

SMILES string

N(c%10ccc(cc%10)OC)(c9ccc(cc9)OC)c1cc2c(cc1)c3c(cc(cc3)N(c8ccc(cc8)OC)c7ccc(cc7)OC)C42c5c(cccc5)Oc6c4cccc6

InChI key

PDGJIZDXBRVKBB-UHFFFAOYSA-N

General description

Spiro[9H-fluorene-9,9′-[9H]xanthene]-2,7-diamine (X59) is a hole transporting material (HTM), which has a spiro[fluorene-9,9′-xanthene] as a core component. It can be synthesized by Buchwald-Hartwig reaction. It shows a power conversion efficiency (PCE) of 19.8%.

Application

X59 can be used in the formation of hole transporting layer (HTL) for the fabrication of polymeric solar cells (PSCs) and perovskite solar cells.
X59 is a new hole transporting material (HTM) with spiro[fluorene-9,9′-xanthene] as the core moiety. An impressive power conversion efficiency (PCE) of 19.8% was achieved by using X59 as HTM in perovskite solar cell, which can compete with the record PCE by using the state-of-the-art-HTM Spiro-OMeTAD. The X59-based devices show negligible hysteresis and reasonable stability in dark and dry conditions at room temperature for over five weeks.


Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable



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