2,6-diphenyl-8-(2-phenylphenyl)-7H-purine

C29H20N4 — CID 163388235

IUPAC2,6-diphenyl-8-(2-phenylphenyl)-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4-c4ccccc4)nc3n2)cc1
InChIInChI=1S/C29H20N4/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)28-31-26-25(21-14-6-2-7-15-21)30-27(32-29(26)33-28)22-16-8-3-9-17-22/h1-19H,(H,30,31,32,33)
InChIKeyOTKILXATBBWMOS-UHFFFAOYSA-N
MW424.51 g/mol
LogP7.02
Rot. Bonds4

About 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine

2,6-diphenyl-8-(2-phenylphenyl)-7H-purine (PubChem CID 163388235) has the molecular formula C29H20N4 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine.

Molecular Properties

Compound Name2,6-diphenyl-8-(2-phenylphenyl)-7H-purine
PubChem CID163388235
Molecular FormulaC29H20N4
Molecular Weight424.51 g/mol
Exact Mass424.17
IUPAC Name2,6-diphenyl-8-(2-phenylphenyl)-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4-c4ccccc4)nc3n2)cc1
InChIInChI=1S/C29H20N4/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)28-31-26-25(21-14-6-2-7-15-21)30-27(32-29(26)33-28)22-16-8-3-9-17-22/h1-19H,(H,30,31,32,33)
InChIKeyOTKILXATBBWMOS-UHFFFAOYSA-N
XLogP7.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2,6-diphenyl-7H-purine
CID 11254681
6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine
CID 163388273
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163617819
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2,4,5-triphenylquinazoline
CID 23079071

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine?
The IUPAC name of 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine (CID 163388235) is 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine.
What is the SMILES notation for 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine?
The canonical SMILES for 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine is c1ccc(-c2nc(-c3ccccc3)c3[nH]c(-c4ccccc4-c4ccccc4)nc3n2)cc1.
What is the InChIKey of 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine?
The InChIKey is OTKILXATBBWMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)28-31-26-25(21-14-6-2-7-15-21)30-27(32-29(26)33-28)22-16-8-3-9-17-22/h1-19H,(H,30,31,32,33).
What are the key properties of 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine?
2,6-diphenyl-8-(2-phenylphenyl)-7H-purine has a molecular weight of 424.51 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-8-(2-phenylphenyl)-7H-purine is sourced from PubChem (CID 163388235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).