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2,5,8,11-Tetra-tert-butylperylene, ≥97%

Catalog Number
ACM80663929-1
CAS Number
80663-92-9
Product Name
2,5,8,11-Tetra-tert-butylperylene, ≥97%
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
2,5,8,11-tetratert-butylperylene
Molecular Weight
476.7g/mol
Molecular Formula
C36H44
Canonical SMILES
CC(C)(C)C1=CC2=C3C(=C1)C=C(C=C3C4=CC(=CC5=CC(=CC2=C54)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C36H44/c1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29/h13-20H,1-12H3
InChI Key
BFTIPCRZWILUIY-UHFFFAOYSA-N
Complexity
658
Covalently-Bonded Unit Count
1
Exact Mass
476.344301g/mol
Formal Charge
0
Heavy Atom Count
36
Monoisotopic Mass
476.344301g/mol
Rotatable Bond Count
4
XLogP3
12.4
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