9-phenyl-8-purin-7-ylpurine

C16H10N8 — CID 155516002

IUPAC9-phenyl-8-purin-7-ylpurine
SMILESc1ccc(-n2c(-n3cnc4ncncc43)nc3cncnc32)cc1
InChIInChI=1S/C16H10N8/c1-2-4-11(5-3-1)24-15-12(6-17-9-20-15)22-16(24)23-10-21-14-13(23)7-18-8-19-14/h1-10H
InChIKeyPSNNBXJDEDBLEU-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.94
Rot. Bonds2

About 9-phenyl-8-purin-7-ylpurine

9-phenyl-8-purin-7-ylpurine (PubChem CID 155516002) has the molecular formula C16H10N8 and a molecular weight of 314.31 g/mol. Its IUPAC name is 9-phenyl-8-purin-7-ylpurine.

Molecular Properties

Compound Name9-phenyl-8-purin-7-ylpurine
PubChem CID155516002
Molecular FormulaC16H10N8
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name9-phenyl-8-purin-7-ylpurine
SMILESc1ccc(-n2c(-n3cnc4ncncc43)nc3cncnc32)cc1
InChIInChI=1S/C16H10N8/c1-2-4-11(5-3-1)24-15-12(6-17-9-20-15)22-16(24)23-10-21-14-13(23)7-18-8-19-14/h1-10H
InChIKeyPSNNBXJDEDBLEU-UHFFFAOYSA-N
XLogP1.94
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-8-purin-7-ylpurine?
The IUPAC name of 9-phenyl-8-purin-7-ylpurine (CID 155516002) is 9-phenyl-8-purin-7-ylpurine.
What is the SMILES notation for 9-phenyl-8-purin-7-ylpurine?
The canonical SMILES for 9-phenyl-8-purin-7-ylpurine is c1ccc(-n2c(-n3cnc4ncncc43)nc3cncnc32)cc1.
What is the InChIKey of 9-phenyl-8-purin-7-ylpurine?
The InChIKey is PSNNBXJDEDBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8/c1-2-4-11(5-3-1)24-15-12(6-17-9-20-15)22-16(24)23-10-21-14-13(23)7-18-8-19-14/h1-10H.
What are the key properties of 9-phenyl-8-purin-7-ylpurine?
9-phenyl-8-purin-7-ylpurine has a molecular weight of 314.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-8-purin-7-ylpurine is sourced from PubChem (CID 155516002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).