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N,N'-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide

Catalog Number
ACM95689922-2
CAS Number
95689-92-2
Product Name
N,N'-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide
Structure
Category
Organic Field Effect Transistor (OFET) Materials
IUPAC Name
7,18-di(tridecyl)-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
755.04
Molecular Formula
C50H62N2O4
Canonical SMILES
CCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5C(=O)N(CCCCCCCCCCCCC)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56
InChI
1S/C50H62N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3,XCAZCFDCJHGAIT-UHFFFAOYSA-N
InChI Key
XCAZCFDCJHGAIT-UHFFFAOYSA-N
Melting Point
>300 °C (lit.),room temp
Storage
room temp
Assay
0.95
Complexity
1150
Covalently-Bonded Unit Count
1
EC Number
619-157-7
Exact Mass
754.470958g/mol
Form
powder, crystals or chunks
Formal Charge
0
Heavy Atom Count
56
MDL Number
MFCD00134587
Monoisotopic Mass
754.470958g/mol
Packaging
1 g in glass bottle
Rotatable Bond Count
24
XLogP3
16
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