Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCc1ccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
NHGBFQXGICDVOC-UHFFFAOYSA-N- Molecular formula
- C38H49BrN2O2
- Average molar mass
- 645.7 g/mol
- Monoisotopic mass
- 644.29774
Names & identifiers
- Preferred name
- 1-Amino-2-bromo-4-p-octadecylanilinoanthraquinone
- IUPAC
- 1-amino-2-bromo-4-(4-octadecylanilino)anthracene-9,10-dione
Names & synonyms
SCHEMBL11672131NHGBFQXGICDVOC-UHFFFAOYSA-N1-amino-2-bromo-4-p-octadecylanilinoanthraquinone
Database identifiers
- PubChem CID
- 21407064
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 812
Related reactions
1 records
Compound notes
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