4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione
Basic information
- CAS
63877-69-0- Standard SMILES
O=C(CC(c1ccccc1)C(C(CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1- InChIKey
SBZQETAJBOAVFV-UHFFFAOYSA-N- Molecular formula
- C31H27NO4
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.19400834
Names & identifiers
- Preferred name
- 4-Nitro-1,3,5,7-tetraphenylheptane-1,7-dione
- IUPAC
- 4-nitro-1,3,5,7-tetraphenylheptane-1,7-dione
Names & synonyms
63877-69-04-nitro-1,3,5,7-tetraphenylheptane-1,7-dioneNSC1378451,7-Heptanedione,4-nitro-1,3,5,7-tetraphenyl-DTXSID10300609NSC-137845DS-008493
Database identifiers
- CAS
63877-69-0- PubChem CID
- 283328
- DTXSID
DTXSID10300609
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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