6-diazobenzo[7]annulene

C11H8N2 — CID 173137685

IUPAC6-diazobenzo[7]annulene
SMILES[N-]=[N+]=c1cccc2ccccc2c1
InChIInChI=1S/C11H8N2/c12-13-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-8H
InChIKeyLLODWAMDWANOIG-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.97
Rot. Bonds

About 6-diazobenzo[7]annulene

6-diazobenzo[7]annulene (PubChem CID 173137685) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-diazobenzo[7]annulene.

Molecular Properties

Compound Name6-diazobenzo[7]annulene
PubChem CID173137685
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name6-diazobenzo[7]annulene
SMILES[N-]=[N+]=c1cccc2ccccc2c1
InChIInChI=1S/C11H8N2/c12-13-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-8H
InChIKeyLLODWAMDWANOIG-UHFFFAOYSA-N
XLogP1.97
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 6-diazobenzo[7]annulene?
The IUPAC name of 6-diazobenzo[7]annulene (CID 173137685) is 6-diazobenzo[7]annulene.
What is the SMILES notation for 6-diazobenzo[7]annulene?
The canonical SMILES for 6-diazobenzo[7]annulene is [N-]=[N+]=c1cccc2ccccc2c1.
What is the InChIKey of 6-diazobenzo[7]annulene?
The InChIKey is LLODWAMDWANOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c12-13-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-8H.
What are the key properties of 6-diazobenzo[7]annulene?
6-diazobenzo[7]annulene has a molecular weight of 168.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazobenzo[7]annulene is sourced from PubChem (CID 173137685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).