N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine

C24H19N5 — CID 59408936

IUPACN-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
SMILESc1ccc(CNc2ncnc3nc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1
InChIInChI=1S/C24H19N5/c1-3-7-17(8-4-1)15-25-23-21-24(27-16-26-23)29-22(28-21)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,16H,15H2,(H2,25,26,27,28,29)
InChIKeyOFCWWTDNBRLZGK-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.30
Rot. Bonds5

About N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine

N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine (PubChem CID 59408936) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
PubChem CID59408936
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC NameN-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
SMILESc1ccc(CNc2ncnc3nc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1
InChIInChI=1S/C24H19N5/c1-3-7-17(8-4-1)15-25-23-21-24(27-16-26-23)29-22(28-21)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,16H,15H2,(H2,25,26,27,28,29)
InChIKeyOFCWWTDNBRLZGK-UHFFFAOYSA-N
XLogP5.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine?
The IUPAC name of N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine (CID 59408936) is N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine?
The canonical SMILES for N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine is c1ccc(CNc2ncnc3nc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1.
What is the InChIKey of N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine?
The InChIKey is OFCWWTDNBRLZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-3-7-17(8-4-1)15-25-23-21-24(27-16-26-23)29-22(28-21)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,16H,15H2,(H2,25,26,27,28,29).
What are the key properties of N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine?
N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine has a molecular weight of 377.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 59408936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).