2,4,6,20,22-Pentazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene-7,18-dicarbonitrile
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Basic information
- CAS
932039-99-1- Standard SMILES
N#Cc1cnc2nc3nc4nc5nc(C#N)ccc5cc4cc3cc2c1- InChIKey
AFRGUCMKXFDKIX-UHFFFAOYSA-N- Molecular formula
- C19H7N7
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.07629325
Names & identifiers
- Preferred name
- 2,4,6,20,22-Pentazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene-7,18-dicarbonitrile
- IUPAC
- 2,4,6,20,22-pentazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene-7,18-dicarbonitrile
- English name
- Dipyrido[2,3-b:3,2-i]anthyridine-2,9-dicarbonitrile, radical ion(1-)
- Molecular formula
- C19H7N7
- Molecular weight
- 333.31
Names & synonyms
Dipyrido[2,3-b:3,2-i]anthyridine-2,9-dicarbonitrile, radical ion(1-)
Database identifiers
- CAS
932039-99-1- PubChem CID
- 102404002
- Nikkaji
- J2.440.980E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 647
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Compound notes
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