4-diazo-3-phenoxyanthracene-1,9,10-trione

C20H10N2O4 — CID 91742165

IUPAC4-diazo-3-phenoxyanthracene-1,9,10-trione
SMILES[N-]=[N+]=c1c(Oc2ccccc2)cc(=O)c2c(=O)c3ccccc3c(=O)c1=2
InChIInChI=1S/C20H10N2O4/c21-22-18-15(26-11-6-2-1-3-7-11)10-14(23)16-17(18)20(25)13-9-5-4-8-12(13)19(16)24/h1-10H
InChIKeyUBKNRXYYUWIYQO-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.44
Rot. Bonds2

About 4-diazo-3-phenoxyanthracene-1,9,10-trione

4-diazo-3-phenoxyanthracene-1,9,10-trione (PubChem CID 91742165) has the molecular formula C20H10N2O4 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-diazo-3-phenoxyanthracene-1,9,10-trione.

Molecular Properties

Compound Name4-diazo-3-phenoxyanthracene-1,9,10-trione
PubChem CID91742165
Molecular FormulaC20H10N2O4
Molecular Weight342.31 g/mol
Exact Mass342.06
IUPAC Name4-diazo-3-phenoxyanthracene-1,9,10-trione
SMILES[N-]=[N+]=c1c(Oc2ccccc2)cc(=O)c2c(=O)c3ccccc3c(=O)c1=2
InChIInChI=1S/C20H10N2O4/c21-22-18-15(26-11-6-2-1-3-7-11)10-14(23)16-17(18)20(25)13-9-5-4-8-12(13)19(16)24/h1-10H
InChIKeyUBKNRXYYUWIYQO-UHFFFAOYSA-N
XLogP1.44
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-3-phenoxyanthracene-1,9,10-trione?
The IUPAC name of 4-diazo-3-phenoxyanthracene-1,9,10-trione (CID 91742165) is 4-diazo-3-phenoxyanthracene-1,9,10-trione.
What is the SMILES notation for 4-diazo-3-phenoxyanthracene-1,9,10-trione?
The canonical SMILES for 4-diazo-3-phenoxyanthracene-1,9,10-trione is [N-]=[N+]=c1c(Oc2ccccc2)cc(=O)c2c(=O)c3ccccc3c(=O)c1=2.
What is the InChIKey of 4-diazo-3-phenoxyanthracene-1,9,10-trione?
The InChIKey is UBKNRXYYUWIYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O4/c21-22-18-15(26-11-6-2-1-3-7-11)10-14(23)16-17(18)20(25)13-9-5-4-8-12(13)19(16)24/h1-10H.
What are the key properties of 4-diazo-3-phenoxyanthracene-1,9,10-trione?
4-diazo-3-phenoxyanthracene-1,9,10-trione has a molecular weight of 342.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-3-phenoxyanthracene-1,9,10-trione is sourced from PubChem (CID 91742165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).