(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene

C19H16N6O2 — CID 71562691

IUPAC(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene
SMILESCOc1ccc(/N=N/c2nc(OCc3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N6O2/c1-26-15-9-7-14(8-10-15)24-25-19-22-17-16(20-12-21-17)18(23-19)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21,22,23)/b25-24+
InChIKeyOFNPKAGIHCKIAH-OCOZRVBESA-N
MW360.38 g/mol
LogP4.36
Rot. Bonds6

About (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene

(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene (PubChem CID 71562691) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene
PubChem CID71562691
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene
SMILESCOc1ccc(/N=N/c2nc(OCc3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N6O2/c1-26-15-9-7-14(8-10-15)24-25-19-22-17-16(20-12-21-17)18(23-19)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21,22,23)/b25-24+
InChIKeyOFNPKAGIHCKIAH-OCOZRVBESA-N
XLogP4.36
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene?
The IUPAC name of (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene (CID 71562691) is (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene is COc1ccc(/N=N/c2nc(OCc3ccccc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene?
The InChIKey is OFNPKAGIHCKIAH-OCOZRVBESA-N. The full InChI is InChI=1S/C19H16N6O2/c1-26-15-9-7-14(8-10-15)24-25-19-22-17-16(20-12-21-17)18(23-19)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21,22,23)/b25-24+.
What are the key properties of (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene?
(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene has a molecular weight of 360.38 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene is sourced from PubChem (CID 71562691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).