7-(2-methylphenyl)-9-phenyl-8H-purine

C18H16N4 — CID 58556269

IUPAC7-(2-methylphenyl)-9-phenyl-8H-purine
SMILESCc1ccccc1N1CN(c2ccccc2)c2ncncc21
InChIInChI=1S/C18H16N4/c1-14-7-5-6-10-16(14)22-13-21(15-8-3-2-4-9-15)18-17(22)11-19-12-20-18/h2-12H,13H2,1H3
InChIKeyMUBCIFJCGVJAML-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.03
Rot. Bonds2

About 7-(2-methylphenyl)-9-phenyl-8H-purine

7-(2-methylphenyl)-9-phenyl-8H-purine (PubChem CID 58556269) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-(2-methylphenyl)-9-phenyl-8H-purine.

Molecular Properties

Compound Name7-(2-methylphenyl)-9-phenyl-8H-purine
PubChem CID58556269
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name7-(2-methylphenyl)-9-phenyl-8H-purine
SMILESCc1ccccc1N1CN(c2ccccc2)c2ncncc21
InChIInChI=1S/C18H16N4/c1-14-7-5-6-10-16(14)22-13-21(15-8-3-2-4-9-15)18-17(22)11-19-12-20-18/h2-12H,13H2,1H3
InChIKeyMUBCIFJCGVJAML-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
5-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 157460278
5-(2-methylphenyl)-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743664
1,2,4-trimethyl-2-[1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-yl]-4,6,8,11-tetrazapentacyclo[13.2.1.03,11.05,10.012,17]octadeca-5,7,9,12(17),13,15-hexaene
CID 167042896
6-ethyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743696
5-[2,3-dimethyl-3-(2-methylphenyl)butan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 140758573
(8R)-8-methyl-9-(2-methylphenyl)-7-phenyl-7,8-dihydropurin-7-ium iodide
CID 170140774
3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole
CID 140794361
5-[3-(2,6-dimethylphenyl)-2,3-dimethylbutan-2-yl]-1,3-diphenyl-2H-imidazo[4,5-b]pyrazine
CID 140758577
2,2-dimethyl-3-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazine
CID 130317602
2-methyl-1-(2-methylphenyl)-4,5-dihydroimidazole
CID 67968169

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)-9-phenyl-8H-purine?
The IUPAC name of 7-(2-methylphenyl)-9-phenyl-8H-purine (CID 58556269) is 7-(2-methylphenyl)-9-phenyl-8H-purine.
What is the SMILES notation for 7-(2-methylphenyl)-9-phenyl-8H-purine?
The canonical SMILES for 7-(2-methylphenyl)-9-phenyl-8H-purine is Cc1ccccc1N1CN(c2ccccc2)c2ncncc21.
What is the InChIKey of 7-(2-methylphenyl)-9-phenyl-8H-purine?
The InChIKey is MUBCIFJCGVJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-14-7-5-6-10-16(14)22-13-21(15-8-3-2-4-9-15)18-17(22)11-19-12-20-18/h2-12H,13H2,1H3.
What are the key properties of 7-(2-methylphenyl)-9-phenyl-8H-purine?
7-(2-methylphenyl)-9-phenyl-8H-purine has a molecular weight of 288.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-9-phenyl-8H-purine is sourced from PubChem (CID 58556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).