1-(9-benzylpurin-6-yl)naphthalen-2-ol

C22H16N4O — CID 135912215

IUPAC1-(9-benzylpurin-6-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1ncnc2c1ncn2Cc1ccccc1
InChIInChI=1S/C22H16N4O/c27-18-11-10-16-8-4-5-9-17(16)19(18)20-21-22(24-13-23-20)26(14-25-21)12-15-6-2-1-3-7-15/h1-11,13-14,27H,12H2
InChIKeySMYMJQYEKADKCY-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.40
Rot. Bonds3

About 1-(9-benzylpurin-6-yl)naphthalen-2-ol

1-(9-benzylpurin-6-yl)naphthalen-2-ol (PubChem CID 135912215) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(9-benzylpurin-6-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(9-benzylpurin-6-yl)naphthalen-2-ol
PubChem CID135912215
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name1-(9-benzylpurin-6-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1ncnc2c1ncn2Cc1ccccc1
InChIInChI=1S/C22H16N4O/c27-18-11-10-16-8-4-5-9-17(16)19(18)20-21-22(24-13-23-20)26(14-25-21)12-15-6-2-1-3-7-15/h1-11,13-14,27H,12H2
InChIKeySMYMJQYEKADKCY-UHFFFAOYSA-N
XLogP4.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
CID 11248509
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
9-benzyl-6-[(E)-2-(9-benzylpurin-6-yl)ethenyl]purine
CID 12067796
1-(9-benzylpurin-6-yl)-2-phenylethanol
CID 175378937
1-(9-benzylpurin-6-yl)-2-phenylsulfanylethanol
CID 25136633
9-benzyl-6-isocyanopurine
CID 18683091
11-benzyl-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523881
(Z)-4-(9-benzylpurin-6-yl)-4-hydroxy-2-oxobut-3-enoic acid
CID 15956342
9-benzyl-2,6-diphenylpurine
CID 15499193
9-[(3-chlorophenyl)methyl]-6-(furan-2-yl)purine
CID 5270740
trans-(1S,2S)-2-(9-benzylpurin-6-yl)cyclopropane-1-carboxylic acid
CID 24895799

Frequently Asked Questions

What is the IUPAC name of 1-(9-benzylpurin-6-yl)naphthalen-2-ol?
The IUPAC name of 1-(9-benzylpurin-6-yl)naphthalen-2-ol (CID 135912215) is 1-(9-benzylpurin-6-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(9-benzylpurin-6-yl)naphthalen-2-ol?
The canonical SMILES for 1-(9-benzylpurin-6-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1ncnc2c1ncn2Cc1ccccc1.
What is the InChIKey of 1-(9-benzylpurin-6-yl)naphthalen-2-ol?
The InChIKey is SMYMJQYEKADKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-18-11-10-16-8-4-5-9-17(16)19(18)20-21-22(24-13-23-20)26(14-25-21)12-15-6-2-1-3-7-15/h1-11,13-14,27H,12H2.
What are the key properties of 1-(9-benzylpurin-6-yl)naphthalen-2-ol?
1-(9-benzylpurin-6-yl)naphthalen-2-ol has a molecular weight of 352.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-benzylpurin-6-yl)naphthalen-2-ol is sourced from PubChem (CID 135912215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).