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N,N'-Dioctyl-3,4,9,10-perylenedicarboximide

Catalog Number
ACM78151583-2
Product Name
N,N'-Dioctyl-3,4,9,10-perylenedicarboximide
Structure
CAS
78151-58-3
Category
Organic Field Effect Transistor (OFET) Materials
Synonyms
PTCDI-C8
IUPAC Name
7,18-dioctyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Molecular Weight
614.77
Molecular Formula
C40H42N2O4
Canonical SMILES
CCCCCCCCN1C(=O)c2ccc3c4ccc5C(=O)N(CCCCCCCC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56
InChI
1S/C40H42N2O4/c1-3-5-7-9-11-13-23-41-37(43)29-19-15-25-27-17-21-31-36-32(40(46)42(39(31)45)24-14-12-10-8-6-4-2)22-18-28(34(27)36)26-16-20-30(38(41)44)35(29)33(25)26/h15-22H,3-14,23-24H2,1-2H3,YFGMQDNQVFJKTR-UHFFFAOYSA-N
InChI Key
YFGMQDNQVFJKTR-UHFFFAOYSA-N
Melting Point
>300 °C
Application
PTCDI-C8 can be used as an organic semiconductor to fabricate a wide range of opto-electronic based devices such as light emitting diodes, photovoltaic cells, and field effect transistors.
Storage
room temp
Complexity
996
Covalently-Bonded Unit Count
1
Exact Mass
614.314458g/mol
Formal Charge
0
Heavy Atom Count
46
MDL Number
MFCD08276854
Monoisotopic Mass
614.314458g/mol
Packaging
1 g in glass bottle
Rotatable Bond Count
14
XLogP3
10.5
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