fluoren-9-imine

C13H9N — CID 20500

IUPACfluoren-9-imine
SMILES[H]N=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H9N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14H
InChIKeyQVJLOUKVQGQPCX-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.08
Rot. Bonds

About fluoren-9-imine

fluoren-9-imine (PubChem CID 20500) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is fluoren-9-imine.

Molecular Properties

Compound Namefluoren-9-imine
PubChem CID20500
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Namefluoren-9-imine
SMILES[H]N=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H9N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14H
InChIKeyQVJLOUKVQGQPCX-UHFFFAOYSA-N
XLogP3.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoren-9-imine?
The IUPAC name of fluoren-9-imine (CID 20500) is fluoren-9-imine.
What is the SMILES notation for fluoren-9-imine?
The canonical SMILES for fluoren-9-imine is [H]N=C1c2ccccc2-c2ccccc21.
What is the InChIKey of fluoren-9-imine?
The InChIKey is QVJLOUKVQGQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14H.
What are the key properties of fluoren-9-imine?
fluoren-9-imine has a molecular weight of 179.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoren-9-imine is sourced from PubChem (CID 20500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).