Name: Name:Dipyrazino[2,3-f:2',3'-h]quinoxalinehexacarbonitrile
Brand: Angene
SKU: AG00HANY
Rating: 90 (10 reviews)

Dipyrazino[2,3-f:2',3'-h]quinoxalinehexacarbonitrile

CAS No.:

105598-27-4

Catalog Number:

AG00HANY

Molecular Formula:

C18N12

Molecular Weight:

384.2730

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Product Description

Catalog Number:

AG00HANY

Chemical Name:

Dipyrazino[2,3-f:2',3'-h]quinoxalinehexacarbonitrile

CAS Number:

105598-27-4

Molecular Formula:

C18N12

Molecular Weight:

384.2730

MDL Number:

MFCD19689401

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

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

SMILES:

N#Cc1nc2c(nc1C#N)c1nc(C#N)c(nc1c1c2nc(C#N)c(n1)C#N)C#N

Properties

Complexity:

809

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

384.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

384.282g/mol

Monoisotopic Mass:

384.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

220A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1

Literature

Title	Journal
The π-accepting arene HAT(CN)6 as a halide receptor through charge transfer: multisite anion interactions and self-assembly in solution and the solid state.	Angewandte Chemie (International ed. in English) 20100924
Chemical reaction-inspired crystal growth of a coordination polymer toward morphology design and control.	Journal of the American Chemical Society 20061213
Synthesis and mesomorphic behavior of a donor-acceptor-type hexaazatriphenylene.	Organic letters 20050915

Properties