9-benzyl-6,8-diphenylpurine

C24H18N4 — CID 50999032

IUPAC9-benzyl-6,8-diphenylpurine
SMILESc1ccc(Cn2c(-c3ccccc3)nc3c(-c4ccccc4)ncnc32)cc1
InChIInChI=1S/C24H18N4/c1-4-10-18(11-5-1)16-28-23(20-14-8-3-9-15-20)27-22-21(25-17-26-24(22)28)19-12-6-2-7-13-19/h1-15,17H,16H2
InChIKeyZLYKOEJCSKSVEH-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.21
Rot. Bonds4

About 9-benzyl-6,8-diphenylpurine

9-benzyl-6,8-diphenylpurine (PubChem CID 50999032) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 9-benzyl-6,8-diphenylpurine.

Molecular Properties

Compound Name9-benzyl-6,8-diphenylpurine
PubChem CID50999032
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name9-benzyl-6,8-diphenylpurine
SMILESc1ccc(Cn2c(-c3ccccc3)nc3c(-c4ccccc4)ncnc32)cc1
InChIInChI=1S/C24H18N4/c1-4-10-18(11-5-1)16-28-23(20-14-8-3-9-15-20)27-22-21(25-17-26-24(22)28)19-12-6-2-7-13-19/h1-15,17H,16H2
InChIKeyZLYKOEJCSKSVEH-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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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6,8-diphenylpurine?
The IUPAC name of 9-benzyl-6,8-diphenylpurine (CID 50999032) is 9-benzyl-6,8-diphenylpurine.
What is the SMILES notation for 9-benzyl-6,8-diphenylpurine?
The canonical SMILES for 9-benzyl-6,8-diphenylpurine is c1ccc(Cn2c(-c3ccccc3)nc3c(-c4ccccc4)ncnc32)cc1.
What is the InChIKey of 9-benzyl-6,8-diphenylpurine?
The InChIKey is ZLYKOEJCSKSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-4-10-18(11-5-1)16-28-23(20-14-8-3-9-15-20)27-22-21(25-17-26-24(22)28)19-12-6-2-7-13-19/h1-15,17H,16H2.
What are the key properties of 9-benzyl-6,8-diphenylpurine?
9-benzyl-6,8-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-6,8-diphenylpurine is sourced from PubChem (CID 50999032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).