Basic information
- Standard SMILES
CC1(C)OB(c2ccc(CC(Cc3ccc(-c4ccccc4)cc3)(c3ccccc3)n3nnc4ccccc43)cc2)OC1(C)C- InChIKey
WOUWKRSFSCYWDJ-UHFFFAOYSA-N- Molecular formula
- C39H38BN3O2
- Average molar mass
- 591.5 g/mol
- Monoisotopic mass
- 591.3057076
Names & identifiers
- Preferred name
- 1-{2-Biphenyl-4-yl-1-phenyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-ethyl)-1H-benzotriazole
- IUPAC
- 1-[2-phenyl-1-(4-phenylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]benzotriazole
Names & synonyms
1-{2-Biphenyl-4-yl-1-phenyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-ethyl)-1H-benzotriazole1-{2-biphenyl-4-yl-1-phenyl-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-ethyl}-1h-benzotriazoleSCHEMBL5892771WOUWKRSFSCYWDJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21879401
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 932
Related reactions
2 records
Compound notes
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