1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,1'-biphenyl)-4-ylethenyl)-1,3-diethyl-, (E)-

HCID 6448939

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

Related reactions

6 records

Compound notes

Loading…