4-[4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzonitrile
Basic information
- CAS
2254230-02-7- Standard SMILES
CC1(C)OB(c2ccc(-c3ccc(-c4ccc(C#N)cc4)cc3)c3ccccc23)OC1(C)C- InChIKey
PJUBCZHTLGJGSI-UHFFFAOYSA-N- Molecular formula
- C29H26BNO2
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- 4-[4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzonitrile
- IUPAC
- 4-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzonitrile
- English name
- [1,1'-Biphenyl]-4-carbonitrile, 4'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthalenyl]-
- Molecular formula
- C29H26BNO2
- Molecular weight
- 431.33
Names & synonyms
SCHEMBL220647864'-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthalenyl]-(1,1'-biphenyl)-4-carbonitrile[1,1'-Biphenyl]-4-carbonitrile, 4'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthalenyl]-
Database identifiers
- CAS
2254230-02-7
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 709
Physicochemical properties
- Boiling point
- 608.4 · 608.4±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
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Compound notes
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