Basic information
- Standard SMILES
COc1ccc(-c2ccc(CC(Cc3ccc(CP(=O)(OF)OF)cc3)(c3ccccc3)n3nnc4ccccc43)cc2)cc1P(=O)(OC)OC- InChIKey
QLLFMYLZPQTGPP-UHFFFAOYSA-N- Molecular formula
- C37H35F2N3O7P2
- Average molar mass
- 733.6 g/mol
Names & identifiers
- Preferred name
- 4'-{2-Benzotriazol-1-yl-3-[4-(difluorophosphonomethy)phenyl]-2-phenylpropyl}-4-methoxybiphenyl-3-yl-phosphonic acid dimethyl ester
- IUPAC
- [[4-[2-(benzotriazol-1-yl)-3-[4-(3-dimethoxyphosphoryl-4-methoxyphenyl)phenyl]-2-phenylpropyl]phenyl]methyl-fluorooxyphosphoryl] hypofluorite
Names & synonyms
SCHEMBL7564653QLLFMYLZPQTGPP-UHFFFAOYSA-N4'-{2-benzotriazol-1-yl-3-[4-(difluorophosphonomethy)phenyl]-2-phenylpropyl}-4-methoxybiphenyl-3-yl-phosphonic acid dimethyl ester
Database identifiers
- PubChem CID
- 88162000
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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