4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol

C20H14N2O2 — CID 136784114

IUPAC4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
SMILESOc1ccc(/N=N/c2cccc3ccccc23)c2c(O)cccc12
InChIInChI=1S/C20H14N2O2/c23-18-12-11-17(20-15(18)8-4-10-19(20)24)22-21-16-9-3-6-13-5-1-2-7-14(13)16/h1-12,23-24H/b22-21+
InChIKeyJASVDFWWRUAHHF-QURGRASLSA-N
MW314.34 g/mol
LogP5.82
Rot. Bonds2

About 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol

4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol (PubChem CID 136784114) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol.

Molecular Properties

Compound Name4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
PubChem CID136784114
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
SMILESOc1ccc(/N=N/c2cccc3ccccc23)c2c(O)cccc12
InChIInChI=1S/C20H14N2O2/c23-18-12-11-17(20-15(18)8-4-10-19(20)24)22-21-16-9-3-6-13-5-1-2-7-14(13)16/h1-12,23-24H/b22-21+
InChIKeyJASVDFWWRUAHHF-QURGRASLSA-N
XLogP5.82
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol?
The IUPAC name of 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol (CID 136784114) is 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol.
What is the SMILES notation for 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol?
The canonical SMILES for 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol is Oc1ccc(/N=N/c2cccc3ccccc23)c2c(O)cccc12.
What is the InChIKey of 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol?
The InChIKey is JASVDFWWRUAHHF-QURGRASLSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-18-12-11-17(20-15(18)8-4-10-19(20)24)22-21-16-9-3-6-13-5-1-2-7-14(13)16/h1-12,23-24H/b22-21+.
What are the key properties of 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol?
4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol has a molecular weight of 314.34 g/mol, XLogP of 5.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol is sourced from PubChem (CID 136784114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).