Basic information
- CAS
138606-33-4- Standard SMILES
Cc1c2ccccc2c(Cn2cnc3ncnc(N)c32)c2c1ccc1ccccc12- InChIKey
LRVAZCXGIKBTHO-UHFFFAOYSA-N- Molecular formula
- C25H19N5
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.16404563
Names & identifiers
- Preferred name
- 7H-Purin-6-amine, 7-((7-methylbenz[a]anthracen-12-yl)methyl)-
- IUPAC
- 7-[(7-methylbenzo[a]anthracen-12-yl)methyl]purin-6-amine
Names & synonyms
138606-33-47H-Purin-6-amine, 7-((7-methylbenz[a]anthracen-12-yl)methyl)-7H-Purin-6-amine, 7-((7-methylbenz(a)anthracen-12-yl)methyl)-7-[(7-methyltetraphen-12-yl)methyl]-7H-purin-6-amineDTXSID90160728
Database identifiers
- CAS
138606-33-4- PubChem CID
- 178508
- DTXSID
DTXSID90160728- Nikkaji
- J488.283K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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