9-isocyanofluorene-9-carbonitrile

C15H8N2 — CID 20676643

IUPAC9-isocyanofluorene-9-carbonitrile
SMILES[C-]#[N+]C1(C#N)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H8N2/c1-17-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H
InChIKeySJKBSKJTVMOQPL-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.35
Rot. Bonds

About 9-isocyanofluorene-9-carbonitrile

9-isocyanofluorene-9-carbonitrile (PubChem CID 20676643) has the molecular formula C15H8N2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 9-isocyanofluorene-9-carbonitrile.

Molecular Properties

Compound Name9-isocyanofluorene-9-carbonitrile
PubChem CID20676643
Molecular FormulaC15H8N2
Molecular Weight216.24 g/mol
Exact Mass216.07
IUPAC Name9-isocyanofluorene-9-carbonitrile
SMILES[C-]#[N+]C1(C#N)c2ccccc2-c2ccccc21
InChIInChI=1S/C15H8N2/c1-17-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H
InChIKeySJKBSKJTVMOQPL-UHFFFAOYSA-N
XLogP3.35
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-isocyanofluorene-9-carbonitrile?
The IUPAC name of 9-isocyanofluorene-9-carbonitrile (CID 20676643) is 9-isocyanofluorene-9-carbonitrile.
What is the SMILES notation for 9-isocyanofluorene-9-carbonitrile?
The canonical SMILES for 9-isocyanofluorene-9-carbonitrile is [C-]#[N+]C1(C#N)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-isocyanofluorene-9-carbonitrile?
The InChIKey is SJKBSKJTVMOQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2/c1-17-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H.
What are the key properties of 9-isocyanofluorene-9-carbonitrile?
9-isocyanofluorene-9-carbonitrile has a molecular weight of 216.24 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isocyanofluorene-9-carbonitrile is sourced from PubChem (CID 20676643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).