2,6-diphenyl-7H-purine

C17H12N4 — CID 11572592

IUPAC2,6-diphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)
InChIKeyWNVFFQZYOFELQA-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.69
Rot. Bonds2

About 2,6-diphenyl-7H-purine

2,6-diphenyl-7H-purine (PubChem CID 11572592) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2,6-diphenyl-7H-purine.

Molecular Properties

Compound Name2,6-diphenyl-7H-purine
PubChem CID11572592
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name2,6-diphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)
InChIKeyWNVFFQZYOFELQA-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-7H-purine?
The IUPAC name of 2,6-diphenyl-7H-purine (CID 11572592) is 2,6-diphenyl-7H-purine.
What is the SMILES notation for 2,6-diphenyl-7H-purine?
The canonical SMILES for 2,6-diphenyl-7H-purine is c1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2,6-diphenyl-7H-purine?
The InChIKey is WNVFFQZYOFELQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21).
What are the key properties of 2,6-diphenyl-7H-purine?
2,6-diphenyl-7H-purine has a molecular weight of 272.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-7H-purine is sourced from PubChem (CID 11572592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).