2,6-bis(4-chlorophenyl)-7H-purine

C17H10Cl2N4 — CID 11660141

IUPAC2,6-bis(4-chlorophenyl)-7H-purine
SMILESClc1ccc(-c2nc(-c3ccc(Cl)cc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H10Cl2N4/c18-12-5-1-10(2-6-12)14-15-17(21-9-20-15)23-16(22-14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21,22,23)
InChIKeyWDBFJNSPOHEOFN-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.99
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)-7H-purine

2,6-bis(4-chlorophenyl)-7H-purine (PubChem CID 11660141) has the molecular formula C17H10Cl2N4 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-7H-purine.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-7H-purine
PubChem CID11660141
Molecular FormulaC17H10Cl2N4
Molecular Weight341.20 g/mol
Exact Mass340.03
IUPAC Name2,6-bis(4-chlorophenyl)-7H-purine
SMILESClc1ccc(-c2nc(-c3ccc(Cl)cc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H10Cl2N4/c18-12-5-1-10(2-6-12)14-15-17(21-9-20-15)23-16(22-14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21,22,23)
InChIKeyWDBFJNSPOHEOFN-UHFFFAOYSA-N
XLogP4.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-7H-purine?
The IUPAC name of 2,6-bis(4-chlorophenyl)-7H-purine (CID 11660141) is 2,6-bis(4-chlorophenyl)-7H-purine.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-7H-purine?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-7H-purine is Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-7H-purine?
The InChIKey is WDBFJNSPOHEOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4/c18-12-5-1-10(2-6-12)14-15-17(21-9-20-15)23-16(22-14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21,22,23).
What are the key properties of 2,6-bis(4-chlorophenyl)-7H-purine?
2,6-bis(4-chlorophenyl)-7H-purine has a molecular weight of 341.20 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-7H-purine is sourced from PubChem (CID 11660141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).