9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine

C32H34N4 — CID 11248509

IUPAC9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
SMILESCCc1c(CC)c(CC)c(-c2ncnc3c2ncn3Cc2ccccc2)c(-c2ccccc2)c1CC
InChIInChI=1S/C32H34N4/c1-5-24-25(6-2)27(8-4)29(28(26(24)7-3)23-17-13-10-14-18-23)30-31-32(34-20-33-30)36(21-35-31)19-22-15-11-9-12-16-22/h9-18,20-21H,5-8,19H2,1-4H3
InChIKeyNNPINLGEXDYOCG-UHFFFAOYSA-N
MW474.65 g/mol
LogP7.46
Rot. Bonds8

About 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine

9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine (PubChem CID 11248509) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine.

Molecular Properties

Compound Name9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
PubChem CID11248509
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine
SMILESCCc1c(CC)c(CC)c(-c2ncnc3c2ncn3Cc2ccccc2)c(-c2ccccc2)c1CC
InChIInChI=1S/C32H34N4/c1-5-24-25(6-2)27(8-4)29(28(26(24)7-3)23-17-13-10-14-18-23)30-31-32(34-20-33-30)36(21-35-31)19-22-15-11-9-12-16-22/h9-18,20-21H,5-8,19H2,1-4H3
InChIKeyNNPINLGEXDYOCG-UHFFFAOYSA-N
XLogP7.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
1-(9-benzylpurin-6-yl)naphthalen-2-ol
CID 135912215
2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
9-benzyl-6-[(E)-2-(9-benzylpurin-6-yl)ethenyl]purine
CID 12067796
9-benzyl-6-[4-(diethoxymethyl)-1H-pyrazol-5-yl]purine
CID 57328253
9-benzyl-6-(7-methoxy-2,3-diphenylindol-1-yl)purine
CID 154717571
9-benzyl-2,6-diphenylpurine
CID 15499193
9-benzyl-6-isocyanopurine
CID 18683091
1-(9-benzylpurin-6-yl)-2-phenylethanol
CID 175378937
9-benzyl-6-[5-(diethoxymethyl)-3-phenyltriazol-4-yl]purine
CID 57328323
tert-butyl N-[2-(9-benzylpurin-6-yl)phenyl]carbamate
CID 134847294
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

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine?
The IUPAC name of 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine (CID 11248509) is 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine.
What is the SMILES notation for 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine?
The canonical SMILES for 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine is CCc1c(CC)c(CC)c(-c2ncnc3c2ncn3Cc2ccccc2)c(-c2ccccc2)c1CC.
What is the InChIKey of 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine?
The InChIKey is NNPINLGEXDYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4/c1-5-24-25(6-2)27(8-4)29(28(26(24)7-3)23-17-13-10-14-18-23)30-31-32(34-20-33-30)36(21-35-31)19-22-15-11-9-12-16-22/h9-18,20-21H,5-8,19H2,1-4H3.
What are the key properties of 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine?
9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine has a molecular weight of 474.65 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-(2,3,4,5-tetraethyl-6-phenylphenyl)purine is sourced from PubChem (CID 11248509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).