Basic information
- CAS
82058-28-4- Standard SMILES
O=C1C2C(c3ccccc3)NC(c3ccccc3)C1C(c1ccccc1)N(C(=O)NC1CCCCC1)C2c1ccccc1- InChIKey
XJEDJDYJFNUOLS-UHFFFAOYSA-N- Molecular formula
- C38H39N3O2
- Average molar mass
- 569.7 g/mol
- Monoisotopic mass
- 569.3042275
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-
- IUPAC
- N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Names & synonyms
ITA 431BRN 569024982058-28-4N-Cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-RefChem:272543DTXSID201002435N-Cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid
Database identifiers
- CAS
82058-28-4- PubChem CID
- 54814
- DTXSID
DTXSID201002435- Nikkaji
- J68.377I
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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