1,1'-(1,4-Phenylene)bis[5-(4-chlorophenyl)-1,5-azaborocane]
Basic information
- CAS
59318-58-0- Standard SMILES
Clc1ccc(B2CCCN(c3ccc(N4CCCB(c5ccc(Cl)cc5)CCC4)cc3)CCC2)cc1- InChIKey
VDWWCCSIWHMARG-UHFFFAOYSA-N- Molecular formula
- C30H36B2Cl2N2
- Average molar mass
- 517.1 g/mol
- Monoisotopic mass
- 516.2441649
Names & identifiers
- Preferred name
- 1,1'-(1,4-Phenylene)bis[5-(4-chlorophenyl)-1,5-azaborocane]
- IUPAC
- 5-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-1,5-azaborocan-1-yl]phenyl]-1,5-azaborocane
Names & synonyms
59318-58-0DTXSID407871811,1'-(1,4-Phenylene)bis[5-(4-chlorophenyl)-1,5-azaborocane]
Database identifiers
- CAS
59318-58-0- PubChem CID
- 71363668
- DTXSID
DTXSID40787181
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 556
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Compound notes
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