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Hexaazatriphenylenehexacabonitrile, 99%

Catalog Number
ACM105598274-3
CAS Number
105598-27-4
Product Name
Hexaazatriphenylenehexacabonitrile, 99%
Structure
Category
Printed Electronic Materials
IUPAC Name
3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile
Molecular Weight
384.3g/mol
Molecular Formula
C18N12
Canonical SMILES
C(#N)C1=C(N=C2C(=N1)C3=NC(=C(N=C3C4=NC(=C(N=C24)C#N)C#N)C#N)C#N)C#N
InChI
InChI=1S/C18N12/c19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18
InChI Key
DKHNGUNXLDCATP-UHFFFAOYSA-N
Complexity
809
Covalently-Bonded Unit Count
1
Exact Mass
384.036888g/mol
Formal Charge
0
Heavy Atom Count
30
Monoisotopic Mass
384.036888g/mol
Rotatable Bond Count
0
XLogP3
-1
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