3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol

C24H20N6O — CID 155533654

IUPAC3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCc3ccc(-c4ccccc4)cc3)nc3nc[nH]c23)c1
InChIInChI=1S/C24H20N6O/c31-20-8-4-7-19(13-20)28-23-21-22(27-15-26-21)29-24(30-23)25-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,15,31H,14H2,(H3,25,26,27,28,29,30)
InChIKeyAFSMATXVFRYMQB-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.08
Rot. Bonds6

About 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol

3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol (PubChem CID 155533654) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol
PubChem CID155533654
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCc3ccc(-c4ccccc4)cc3)nc3nc[nH]c23)c1
InChIInChI=1S/C24H20N6O/c31-20-8-4-7-19(13-20)28-23-21-22(27-15-26-21)29-24(30-23)25-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,15,31H,14H2,(H3,25,26,27,28,29,30)
InChIKeyAFSMATXVFRYMQB-UHFFFAOYSA-N
XLogP5.08
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol?
The IUPAC name of 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol (CID 155533654) is 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol.
What is the SMILES notation for 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol?
The canonical SMILES for 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol is Oc1cccc(Nc2nc(NCc3ccc(-c4ccccc4)cc3)nc3nc[nH]c23)c1.
What is the InChIKey of 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol?
The InChIKey is AFSMATXVFRYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c31-20-8-4-7-19(13-20)28-23-21-22(27-15-26-21)29-24(30-23)25-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,15,31H,14H2,(H3,25,26,27,28,29,30).
What are the key properties of 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol?
3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol has a molecular weight of 408.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-phenylphenyl)methylamino]-7H-purin-6-yl]amino]phenol is sourced from PubChem (CID 155533654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).