Completing data — usually done within a minute
Basic information
- CAS
155271-94-6- Standard SMILES
CCn1c(=O)c2c(nc(/C=C/c3ccc(-c4ccccc4)cc3)n2C)n(CC)c1=O- InChIKey
CSDVLHMHADWIGZ-DTQAZKPQSA-N- Molecular formula
- C24H24N4O2
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.18992602
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,1'-biphenyl)-4-ylethenyl)-1,3-diethyl-7-methyl-, (E)-
- IUPAC
- 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylphenyl)ethenyl]purine-2,6-dione
Names & synonyms
155271-94-61H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,1'-biphenyl)-4-ylethenyl)-1,3-diethyl-7-methyl-, (E)-RefChem:1058380(E)-1,3-Diethyl-7-methyl-8-(4-phenylstyryl)xanthine(E)-8-(2-(1,1'-Biphenyl)-4-ylethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7305752CSDVLHMHADWIGZ-DTQAZKPQSA-N
Database identifiers
- CAS
155271-94-6- PubChem CID
- 6448940
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
Loading…