9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine

C25H20N4O — CID 101425056

IUPAC9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine
SMILESCOc1ccc(-c2nc3c(-c4ccccc4)ncnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C25H20N4O/c1-30-21-14-12-20(13-15-21)24-28-23-22(19-10-6-3-7-11-19)26-17-27-25(23)29(24)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3
InChIKeyJCWUOFBYYLQCIQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.22
Rot. Bonds5

About 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine

9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine (PubChem CID 101425056) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine.

Molecular Properties

Compound Name9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine
PubChem CID101425056
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine
SMILESCOc1ccc(-c2nc3c(-c4ccccc4)ncnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C25H20N4O/c1-30-21-14-12-20(13-15-21)24-28-23-22(19-10-6-3-7-11-19)26-17-27-25(23)29(24)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3
InChIKeyJCWUOFBYYLQCIQ-UHFFFAOYSA-N
XLogP5.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-8-(4-methoxyphenyl)purin-6-amine
CID 102024707
4-(9-benzyl-6-chloropurin-8-yl)phenol
CID 171791694
7-benzyl-6-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59536508
4-(9-benzyl-6-propan-2-yloxypurin-8-yl)phenol
CID 171791650
9-benzyl-8-(2-methoxyphenyl)purin-6-amine
CID 102480817
11-benzyl-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523881
9-benzyl-8-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-propan-2-yloxypurine
CID 171791944
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
8-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-9-propan-2-ylpurine
CID 25138818

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine?
The IUPAC name of 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine (CID 101425056) is 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine.
What is the SMILES notation for 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine?
The canonical SMILES for 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine is COc1ccc(-c2nc3c(-c4ccccc4)ncnc3n2Cc2ccccc2)cc1.
What is the InChIKey of 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine?
The InChIKey is JCWUOFBYYLQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-30-21-14-12-20(13-15-21)24-28-23-22(19-10-6-3-7-11-19)26-17-27-25(23)29(24)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3.
What are the key properties of 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine?
9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine has a molecular weight of 392.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine is sourced from PubChem (CID 101425056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).