9-diazo-9aH-dibenzofuran

C12H8N2O — CID 118236164

IUPAC9-diazo-9aH-dibenzofuran
SMILES[N-]=[N+]=C1C=CC=C2Oc3ccccc3C21
InChIInChI=1S/C12H8N2O/c13-14-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-7,12H
InChIKeyWDPRWSQYSNZHOZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.29
Rot. Bonds

About 9-diazo-9aH-dibenzofuran

9-diazo-9aH-dibenzofuran (PubChem CID 118236164) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 9-diazo-9aH-dibenzofuran.

Molecular Properties

Compound Name9-diazo-9aH-dibenzofuran
PubChem CID118236164
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name9-diazo-9aH-dibenzofuran
SMILES[N-]=[N+]=C1C=CC=C2Oc3ccccc3C21
InChIInChI=1S/C12H8N2O/c13-14-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-7,12H
InChIKeyWDPRWSQYSNZHOZ-UHFFFAOYSA-N
XLogP2.29
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-diazo-9aH-dibenzofuran?
The IUPAC name of 9-diazo-9aH-dibenzofuran (CID 118236164) is 9-diazo-9aH-dibenzofuran.
What is the SMILES notation for 9-diazo-9aH-dibenzofuran?
The canonical SMILES for 9-diazo-9aH-dibenzofuran is [N-]=[N+]=C1C=CC=C2Oc3ccccc3C21.
What is the InChIKey of 9-diazo-9aH-dibenzofuran?
The InChIKey is WDPRWSQYSNZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c13-14-9-5-3-7-11-12(9)8-4-1-2-6-10(8)15-11/h1-7,12H.
What are the key properties of 9-diazo-9aH-dibenzofuran?
9-diazo-9aH-dibenzofuran has a molecular weight of 196.21 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-diazo-9aH-dibenzofuran is sourced from PubChem (CID 118236164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).