Basic information
- CAS
81386-14-3- Standard SMILES
O=c1c2c(-c3cc(-c4ccccc4)nc4[nH]n(-c5ccccc5)c(=O)c34)cc(-c3ccccc3)nc2[nH]n1-c1ccccc1- InChIKey
YTJUAADFORDNSX-UHFFFAOYSA-N- Molecular formula
- C36H24N6O2
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.19607403
Names & identifiers
- Preferred name
- 4-(3-oxo-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
- IUPAC
- 4-(3-oxo-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one
Names & synonyms
NSC36165781386-14-34-(3-oxo-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-oneDTXSID90320587NSC-3616572,2',6,6'-Tetraphenyl-1,1',2,2'-tetrahydro-3H,3'H-[4,4'-bipyrazolo[3,4-b]pyridine]-3,3'-dione2,2',6,6'-Tetraphenyl-1,1',2,2'-tetrahydro-3H,3'H-4,4'-bipyrazolo[3,4-b]pyridine-3,3'-dione
Database identifiers
- CAS
81386-14-3- PubChem CID
- 338558
- DTXSID
DTXSID90320587
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 936
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…