Basic information
- CAS
155271-93-5- Standard SMILES
CCn1c(=O)c2[nH]c(/C=C/c3ccc(-c4ccccc4)cc3)nc2n(CC)c1=O- InChIKey
UCOCWPXIRSCBCY-NTCAYCPXSA-N- Molecular formula
- C23H22N4O2
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,1'-biphenyl)-4-ylethenyl)-1,3-diethyl-, (E)-
- IUPAC
- 1,3-diethyl-8-[(E)-2-(4-phenylphenyl)ethenyl]-7H-purine-2,6-dione
Names & synonyms
155271-93-51H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,1'-biphenyl)-4-ylethenyl)-1,3-diethyl-, (E)-RefChem:1058379(E)-1,3-Diethyl-8-(4-phenylstyryl)xanthine(E)-8-(2-(1,1'-Biphenyl)-4-ylethenyl)-1,3-diethyl-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7304425UCOCWPXIRSCBCY-NTCAYCPXSA-N
Database identifiers
- CAS
155271-93-5- PubChem CID
- 6448939
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 622
Related reactions
6 records
Compound notes
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