2,6,8-triphenyl-7H-purine

C23H16N4 — CID 11462181

IUPAC2,6,8-triphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1
InChIInChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27)
InChIKeyUHWGSYGCZUMSMO-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.35
Rot. Bonds3

About 2,6,8-triphenyl-7H-purine

2,6,8-triphenyl-7H-purine (PubChem CID 11462181) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,6,8-triphenyl-7H-purine.

Molecular Properties

Compound Name2,6,8-triphenyl-7H-purine
PubChem CID11462181
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC Name2,6,8-triphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1
InChIInChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27)
InChIKeyUHWGSYGCZUMSMO-UHFFFAOYSA-N
XLogP5.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-triphenyl-7H-purine?
The IUPAC name of 2,6,8-triphenyl-7H-purine (CID 11462181) is 2,6,8-triphenyl-7H-purine.
What is the SMILES notation for 2,6,8-triphenyl-7H-purine?
The canonical SMILES for 2,6,8-triphenyl-7H-purine is c1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4)nc3n2)cc1.
What is the InChIKey of 2,6,8-triphenyl-7H-purine?
The InChIKey is UHWGSYGCZUMSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-15H,(H,24,25,26,27).
What are the key properties of 2,6,8-triphenyl-7H-purine?
2,6,8-triphenyl-7H-purine has a molecular weight of 348.41 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-triphenyl-7H-purine is sourced from PubChem (CID 11462181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).