Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile

Catalog Number

PHC-LM-105598274

CAS

105598-27-4

Synonyms

Hexaazatriphenylenehexacabonitrile

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

384.3 g/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

Boiling Point

>500 °C

Melting Point

>500 °C

Purity

98%

Density

1.86 g/ml

Appearance

Dark yellow powder

Application

Hole transport layer materials for low voltage top-emitting organic green light emitting devices; a templating material that forces the copper phthalocyanine (CuPc) donor molecule to assume a vertical-standing morphology.

Storage

Room temperature

Isomeric 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

Packaging

1 g in glass bottle

• Catalog Number: PHC-LM-105598274
• CAS: 105598-27-4
• Synonyms: Hexaazatriphenylenehexacabonitrile
• 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: 384.3 g/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
• Boiling Point: >500 °C
• Melting Point: >500 °C
• Purity: 98%
• Density: 1.86 g/ml
• Appearance: Dark yellow powder
• Application: Hole transport layer materials for low voltage top-emitting organic green light emitting devices; a templating material that forces the copper phthalocyanine (CuPc) donor molecule to assume a vertical-standing morphology.
• Storage: Room temperature
• Isomeric 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
• Packaging: 1 g in glass bottle