3-(fluoren-9-ylidenemethyl)benzonitrile

C21H13N — CID 86158959

IUPAC3-(fluoren-9-ylidenemethyl)benzonitrile
SMILESN#Cc1cccc(C=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H13N/c22-14-16-7-5-6-15(12-16)13-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-13H
InChIKeyRPYAZUQAFPSKEE-UHFFFAOYSA-N
MW279.34 g/mol
LogP5.13
Rot. Bonds1

About 3-(fluoren-9-ylidenemethyl)benzonitrile

3-(fluoren-9-ylidenemethyl)benzonitrile (PubChem CID 86158959) has the molecular formula C21H13N and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(fluoren-9-ylidenemethyl)benzonitrile.

Molecular Properties

Compound Name3-(fluoren-9-ylidenemethyl)benzonitrile
PubChem CID86158959
Molecular FormulaC21H13N
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name3-(fluoren-9-ylidenemethyl)benzonitrile
SMILESN#Cc1cccc(C=C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C21H13N/c22-14-16-7-5-6-15(12-16)13-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-13H
InChIKeyRPYAZUQAFPSKEE-UHFFFAOYSA-N
XLogP5.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoren-9-ylidenemethyl)benzonitrile?
The IUPAC name of 3-(fluoren-9-ylidenemethyl)benzonitrile (CID 86158959) is 3-(fluoren-9-ylidenemethyl)benzonitrile.
What is the SMILES notation for 3-(fluoren-9-ylidenemethyl)benzonitrile?
The canonical SMILES for 3-(fluoren-9-ylidenemethyl)benzonitrile is N#Cc1cccc(C=C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-(fluoren-9-ylidenemethyl)benzonitrile?
The InChIKey is RPYAZUQAFPSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N/c22-14-16-7-5-6-15(12-16)13-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-13H.
What are the key properties of 3-(fluoren-9-ylidenemethyl)benzonitrile?
3-(fluoren-9-ylidenemethyl)benzonitrile has a molecular weight of 279.34 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoren-9-ylidenemethyl)benzonitrile is sourced from PubChem (CID 86158959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).