8-cyclohexyl-2,6-diphenyl-7H-purine

C23H22N4 — CID 11523232

IUPAC8-cyclohexyl-2,6-diphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1
InChIInChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)
InChIKeyIGJKVZBNIOTBGI-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.73
Rot. Bonds3

About 8-cyclohexyl-2,6-diphenyl-7H-purine

8-cyclohexyl-2,6-diphenyl-7H-purine (PubChem CID 11523232) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 8-cyclohexyl-2,6-diphenyl-7H-purine.

Molecular Properties

Compound Name8-cyclohexyl-2,6-diphenyl-7H-purine
PubChem CID11523232
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name8-cyclohexyl-2,6-diphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1
InChIInChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)
InChIKeyIGJKVZBNIOTBGI-UHFFFAOYSA-N
XLogP5.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2,6-diphenyl-7H-purine?
The IUPAC name of 8-cyclohexyl-2,6-diphenyl-7H-purine (CID 11523232) is 8-cyclohexyl-2,6-diphenyl-7H-purine.
What is the SMILES notation for 8-cyclohexyl-2,6-diphenyl-7H-purine?
The canonical SMILES for 8-cyclohexyl-2,6-diphenyl-7H-purine is c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1.
What is the InChIKey of 8-cyclohexyl-2,6-diphenyl-7H-purine?
The InChIKey is IGJKVZBNIOTBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27).
What are the key properties of 8-cyclohexyl-2,6-diphenyl-7H-purine?
8-cyclohexyl-2,6-diphenyl-7H-purine has a molecular weight of 354.46 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2,6-diphenyl-7H-purine is sourced from PubChem (CID 11523232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).