4-diazofluorene

C13H8N2 — CID 18690529

IUPAC4-diazofluorene
SMILES[N-]=[N+]=C1C=CC=C2C=c3ccccc3=C21
InChIInChI=1S/C13H8N2/c14-15-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-8H
InChIKeyAYMGKUFCRFMCQY-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.80
Rot. Bonds

About 4-diazofluorene

4-diazofluorene (PubChem CID 18690529) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-diazofluorene.

Molecular Properties

Compound Name4-diazofluorene
PubChem CID18690529
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Name4-diazofluorene
SMILES[N-]=[N+]=C1C=CC=C2C=c3ccccc3=C21
InChIInChI=1S/C13H8N2/c14-15-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-8H
InChIKeyAYMGKUFCRFMCQY-UHFFFAOYSA-N
XLogP0.80
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.80
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': '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 4-diazofluorene?
The IUPAC name of 4-diazofluorene (CID 18690529) is 4-diazofluorene.
What is the SMILES notation for 4-diazofluorene?
The canonical SMILES for 4-diazofluorene is [N-]=[N+]=C1C=CC=C2C=c3ccccc3=C21.
What is the InChIKey of 4-diazofluorene?
The InChIKey is AYMGKUFCRFMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-15-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-8H.
What are the key properties of 4-diazofluorene?
4-diazofluorene has a molecular weight of 192.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazofluorene is sourced from PubChem (CID 18690529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).