Dipyrazino[2,3-f:2',3'-h]quinoxaline - CAS 79790-37-7
Catalog: |
BB053912 |
Product Name: |
Dipyrazino[2,3-f:2',3'-h]quinoxaline |
CAS: |
79790-37-7 |
Synonyms: |
1,4,5,8,9,12-Hexaazatriphenylene; Benzo[1,2-b:3,4-b':5,6-b'']tripyrazine; |
Application: |
A new heterocyclic ligand for transition metals. |
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 |
Molecular Weight: | 234.22 |
Molecular Formula: | C12H6N6 |
Canonical SMILES: | C1=CN=C2C(=N1)C3=NC=CN=C3C4=NC=CN=C24 |
InChI: | InChI=1S/C12H6N6/c1-2-14-8-7(13-1)9-11(17-4-3-15-9)12-10(8)16-5-6-18-12/h1-6H |
InChI Key: | QPJFIVIVOOQUKD-UHFFFAOYSA-N |
Purity: | 96% |
Appearance: | Tan Solid |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.06539422 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.06539422 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 77.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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