2-(4-chlorophenyl)-6-phenyl-7H-purine

C17H11ClN4 — CID 11529627

IUPAC2-(4-chlorophenyl)-6-phenyl-7H-purine
SMILESClc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)
InChIKeyFPWZFVSRIINTRB-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-chlorophenyl)-6-phenyl-7H-purine

2-(4-chlorophenyl)-6-phenyl-7H-purine (PubChem CID 11529627) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-phenyl-7H-purine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-phenyl-7H-purine
PubChem CID11529627
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name2-(4-chlorophenyl)-6-phenyl-7H-purine
SMILESClc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22)
InChIKeyFPWZFVSRIINTRB-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-phenyl-7H-purine?
The IUPAC name of 2-(4-chlorophenyl)-6-phenyl-7H-purine (CID 11529627) is 2-(4-chlorophenyl)-6-phenyl-7H-purine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-phenyl-7H-purine?
The canonical SMILES for 2-(4-chlorophenyl)-6-phenyl-7H-purine is Clc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-phenyl-7H-purine?
The InChIKey is FPWZFVSRIINTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-13-8-6-12(7-9-13)16-21-14(11-4-2-1-3-5-11)15-17(22-16)20-10-19-15/h1-10H,(H,19,20,21,22).
What are the key properties of 2-(4-chlorophenyl)-6-phenyl-7H-purine?
2-(4-chlorophenyl)-6-phenyl-7H-purine has a molecular weight of 306.76 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-phenyl-7H-purine is sourced from PubChem (CID 11529627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).