Basic information
- CAS
92135-76-7- Standard SMILES
CCCCCCCOc1ccc(-c2cc(N)c3c(c2N)C(=O)c2ccccc2C3=O)cc1- InChIKey
UEOLKJBGYFOXKT-UHFFFAOYSA-N- Molecular formula
- C27H28N2O3
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.20999276
Names & identifiers
- Preferred name
- 1,4-Diamino-2-(4-(heptyloxy)phenyl)anthracene-9,10-dione
- IUPAC
- 1,4-diamino-2-(4-heptoxyphenyl)anthracene-9,10-dione
Names & synonyms
92135-76-71,4-Diamino-2-(4-(heptyloxy)phenyl)anthracene-9,10-dione1,4-DIAMINO-2-[4-(HEPTYLOXY)PHENYL]ANTHRACENE-9,10-DIONEDTXSID30757712
Database identifiers
- CAS
92135-76-7- PubChem CID
- 71328811
- DTXSID
DTXSID30757712
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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