9-benzyl-2,6-diphenylpurine

C24H18N4 — CID 15499193

IUPAC9-benzyl-2,6-diphenylpurine
SMILESc1ccc(Cn2cnc3c(-c4ccccc4)nc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C24H18N4/c1-4-10-18(11-5-1)16-28-17-25-22-21(19-12-6-2-7-13-19)26-23(27-24(22)28)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyDZNRNZXJVCHYBE-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.21
Rot. Bonds4

About 9-benzyl-2,6-diphenylpurine

9-benzyl-2,6-diphenylpurine (PubChem CID 15499193) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 9-benzyl-2,6-diphenylpurine.

Molecular Properties

Compound Name9-benzyl-2,6-diphenylpurine
PubChem CID15499193
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name9-benzyl-2,6-diphenylpurine
SMILESc1ccc(Cn2cnc3c(-c4ccccc4)nc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C24H18N4/c1-4-10-18(11-5-1)16-28-17-25-22-21(19-12-6-2-7-13-19)26-23(27-24(22)28)20-14-8-3-9-15-20/h1-15,17H,16H2
InChIKeyDZNRNZXJVCHYBE-UHFFFAOYSA-N
XLogP5.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(9-benzyl-2-phenylpurin-6-yl)benzene-1,4-diamine
CID 25104892
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
6,9-dibenzyl-2-chloropurine
CID 11759453
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
(9-benzyl-2-chloropurin-6-yl)methanol
CID 11601518
9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
CID 11248509
[9-benzyl-2-(2-phenylethyl)purin-6-yl]-methylazanium chloride
CID 11731662
9-benzyl-2,6-dimethoxypurine
CID 141432217
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
N-[2-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117080140
4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388345

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2,6-diphenylpurine?
The IUPAC name of 9-benzyl-2,6-diphenylpurine (CID 15499193) is 9-benzyl-2,6-diphenylpurine.
What is the SMILES notation for 9-benzyl-2,6-diphenylpurine?
The canonical SMILES for 9-benzyl-2,6-diphenylpurine is c1ccc(Cn2cnc3c(-c4ccccc4)nc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 9-benzyl-2,6-diphenylpurine?
The InChIKey is DZNRNZXJVCHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-4-10-18(11-5-1)16-28-17-25-22-21(19-12-6-2-7-13-19)26-23(27-24(22)28)20-14-8-3-9-15-20/h1-15,17H,16H2.
What are the key properties of 9-benzyl-2,6-diphenylpurine?
9-benzyl-2,6-diphenylpurine has a molecular weight of 362.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2,6-diphenylpurine is sourced from PubChem (CID 15499193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).