6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine

C21H12N12 — CID 15527163

IUPAC6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
SMILESc1nc(-c2ccc(-c3ncnc4nc[nH]c34)c(-c3ncnc4nc[nH]c34)c2)c2[nH]cnc2n1
InChIInChI=1S/C21H12N12/c1-2-11(14-17-20(29-5-23-14)32-8-26-17)12(15-18-21(30-6-24-15)33-9-27-18)3-10(1)13-16-19(28-4-22-13)31-7-25-16/h1-9H,(H,22,25,28,31)(H,23,26,29,32)(H,24,27,30,33)
InChIKeyOQLFENHEKBUUBQ-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.69
Rot. Bonds3

About 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine

6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine (PubChem CID 15527163) has the molecular formula C21H12N12 and a molecular weight of 432.41 g/mol. Its IUPAC name is 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine.

Molecular Properties

Compound Name6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
PubChem CID15527163
Molecular FormulaC21H12N12
Molecular Weight432.41 g/mol
Exact Mass432.13
IUPAC Name6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
SMILESc1nc(-c2ccc(-c3ncnc4nc[nH]c34)c(-c3ncnc4nc[nH]c34)c2)c2[nH]cnc2n1
InChIInChI=1S/C21H12N12/c1-2-11(14-17-20(29-5-23-14)32-8-26-17)12(15-18-21(30-6-24-15)33-9-27-18)3-10(1)13-16-19(28-4-22-13)31-7-25-16/h1-9H,(H,22,25,28,31)(H,23,26,29,32)(H,24,27,30,33)
InChIKeyOQLFENHEKBUUBQ-UHFFFAOYSA-N
XLogP2.69
TPSA163.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
3-(7H-purin-6-yl)aniline
CID 71426821
6-[4-(trifluoromethyl)phenyl]-7H-purine
CID 154460741
6-[4-(2-methoxyethoxy)phenyl]-7H-purine
CID 122559987
6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
6-(3-chloropyridazin-4-yl)-7H-purine
CID 164905912
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
CID 96602690
N-[4-(7H-purin-6-yl)phenyl]ethanesulfonamide
CID 172688411
3-fluoro-N-[[4-(7H-purin-6-yl)phenyl]methyl]aniline
CID 175807717
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321893
6-chloro-7H-purine
CID 53349102

Frequently Asked Questions

What is the IUPAC name of 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine?
The IUPAC name of 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine (CID 15527163) is 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine.
What is the SMILES notation for 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine?
The canonical SMILES for 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine is c1nc(-c2ccc(-c3ncnc4nc[nH]c34)c(-c3ncnc4nc[nH]c34)c2)c2[nH]cnc2n1.
What is the InChIKey of 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine?
The InChIKey is OQLFENHEKBUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N12/c1-2-11(14-17-20(29-5-23-14)32-8-26-17)12(15-18-21(30-6-24-15)33-9-27-18)3-10(1)13-16-19(28-4-22-13)31-7-25-16/h1-9H,(H,22,25,28,31)(H,23,26,29,32)(H,24,27,30,33).
What are the key properties of 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine?
6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine has a molecular weight of 432.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine is sourced from PubChem (CID 15527163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).