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

HCID 6448940

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

Related reactions

3 records

Compound notes

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