2,2',2''-(Benzene-1,3,5-triyl)tris(3-phenylpyrido[3,2-f]quinoxaline)
Basic information
- CAS
927834-49-9- Standard SMILES
c1ccc(-c2nc3ccc4ncccc4c3nc2-c2cc(-c3nc4c(ccc5ncccc54)nc3-c3ccccc3)cc(-c3nc4c(ccc5ncccc54)nc3-c3ccccc3)c2)cc1- InChIKey
YYNMJMOTDMHLHB-UHFFFAOYSA-N- Molecular formula
- C57H33N9
- Average molar mass
- 843.9 g/mol
- Monoisotopic mass
- 843.28589209
Names & identifiers
- Preferred name
- 2,2',2''-(Benzene-1,3,5-triyl)tris(3-phenylpyrido[3,2-f]quinoxaline)
- IUPAC
- 2-[3,5-bis(3-phenylpyrido[2,3-h]quinoxalin-2-yl)phenyl]-3-phenylpyrido[3,2-f]quinoxaline
Names & synonyms
927834-49-9SCHEMBL13818406DTXSID807277632,2',2''-(Benzene-1,3,5-triyl)tris(3-phenylpyrido[3,2-f]quinoxaline)
Database identifiers
- CAS
927834-49-9- PubChem CID
- 57721822
- DTXSID
DTXSID80727763
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,390
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Compound notes
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