7,8-Diphenylbicyclo[4.2.1]nona-2,4,7-triene
Basic information
- CAS
54049-09-1- Standard SMILES
C1=CC2CC(C=C1)C(c1ccccc1)=C2c1ccccc1- InChIKey
ABYAFVJYPMKGFI-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- 7,8-Diphenylbicyclo[4.2.1]nona-2,4,7-triene
- IUPAC
- 7,8-diphenylbicyclo[4.2.1]nona-2,4,7-triene
Names & synonyms
7,8-Diphenylbicyclo[4.2.1]nona-2,4,7-triene54049-09-1DTXSID803450427,8-Diphenylbicyclo(4.2.1)nona-2,4,7-trieneRefChem:309974DTXCID30296116ABYAFVJYPMKGFI-UHFFFAOYSA-N
Database identifiers
- CAS
54049-09-1- PubChem CID
- 601370
- DTXSID
DTXSID80345042- Nikkaji
- J599.846H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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