4-naphthalen-1-ylbenzonitrile

C17H11N — CID 643259

IUPAC4-naphthalen-1-ylbenzonitrile
SMILESN#Cc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C17H11N/c18-12-13-8-10-15(11-9-13)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H
InChIKeyMDQFZPMHRMBGBO-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.38
Rot. Bonds1

About 4-naphthalen-1-ylbenzonitrile

4-naphthalen-1-ylbenzonitrile (PubChem CID 643259) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-naphthalen-1-ylbenzonitrile.

Molecular Properties

Compound Name4-naphthalen-1-ylbenzonitrile
PubChem CID643259
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name4-naphthalen-1-ylbenzonitrile
SMILESN#Cc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C17H11N/c18-12-13-8-10-15(11-9-13)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H
InChIKeyMDQFZPMHRMBGBO-UHFFFAOYSA-N
XLogP4.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylbenzonitrile?
The IUPAC name of 4-naphthalen-1-ylbenzonitrile (CID 643259) is 4-naphthalen-1-ylbenzonitrile.
What is the SMILES notation for 4-naphthalen-1-ylbenzonitrile?
The canonical SMILES for 4-naphthalen-1-ylbenzonitrile is N#Cc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-ylbenzonitrile?
The InChIKey is MDQFZPMHRMBGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c18-12-13-8-10-15(11-9-13)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H.
What are the key properties of 4-naphthalen-1-ylbenzonitrile?
4-naphthalen-1-ylbenzonitrile has a molecular weight of 229.28 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylbenzonitrile is sourced from PubChem (CID 643259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).