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Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]- InChIKey
QEPVQYFKCCYQGS-UHFFFAOYSA-N- Molecular formula
- C23H22N2O4
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- (3''-Nitro-[1,1';4',1'']terphenyl-4''-yl)-carbamic acid tert.-butyl ester
- IUPAC
- tert-butyl N-[2-nitro-4-(4-phenylphenyl)phenyl]carbamate
Names & synonyms
SCHEMBL5868990QEPVQYFKCCYQGS-UHFFFAOYSA-N(3''-Nitro-[1,1';4',1'']terphenyl-4''-yl)-carbamic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 69592829
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 554
Related reactions
6 records
Compound notes
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