(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene

C19H16N6O — CID 170922223

IUPAC(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene
SMILESc1ccc(COc2ccc(C/N=N/c3ncnc4nc[nH]c34)cc2)cc1
InChIInChI=1S/C19H16N6O/c1-2-4-15(5-3-1)11-26-16-8-6-14(7-9-16)10-24-25-19-17-18(21-12-20-17)22-13-23-19/h1-9,12-13H,10-11H2,(H,20,21,22,23)/b25-24+
InChIKeyJCBUIONMWOBPQM-OCOZRVBESA-N
MW344.38 g/mol
LogP4.22
Rot. Bonds6

About (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene

(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene (PubChem CID 170922223) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene
PubChem CID170922223
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene
SMILESc1ccc(COc2ccc(C/N=N/c3ncnc4nc[nH]c34)cc2)cc1
InChIInChI=1S/C19H16N6O/c1-2-4-15(5-3-1)11-26-16-8-6-14(7-9-16)10-24-25-19-17-18(21-12-20-17)22-13-23-19/h1-9,12-13H,10-11H2,(H,20,21,22,23)/b25-24+
InChIKeyJCBUIONMWOBPQM-OCOZRVBESA-N
XLogP4.22
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)methyl-(7H-purin-6-yl)diazene
CID 90723012
1-(7H-purin-6-yldiazenyl)naphthalen-2-ol
CID 146350466
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene
CID 71562691
4-phenylmethoxyaniline
CID 159966727
N-[(4-phenylmethoxyphenyl)methyl]cyclopentanimine
CID 23343854
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
CID 141033688
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
6-(3-phenylpropylsulfanyl)-7H-purine
CID 135397811
phenylmethoxymethylbenzene;7H-purine
CID 71212113
5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole
CID 141069718

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene?
The IUPAC name of (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene (CID 170922223) is (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene.
What is the SMILES notation for (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene?
The canonical SMILES for (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene is c1ccc(COc2ccc(C/N=N/c3ncnc4nc[nH]c34)cc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene?
The InChIKey is JCBUIONMWOBPQM-OCOZRVBESA-N. The full InChI is InChI=1S/C19H16N6O/c1-2-4-15(5-3-1)11-26-16-8-6-14(7-9-16)10-24-25-19-17-18(21-12-20-17)22-13-23-19/h1-9,12-13H,10-11H2,(H,20,21,22,23)/b25-24+.
What are the key properties of (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene?
(4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene has a molecular weight of 344.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)methyl-(7H-purin-6-yl)diazene is sourced from PubChem (CID 170922223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).