2-(3-naphthalen-2-ylphenyl)acetonitrile

C18H13N — CID 118847574

IUPAC2-(3-naphthalen-2-ylphenyl)acetonitrile
SMILESN#CCc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13N/c19-11-10-14-4-3-7-16(12-14)18-9-8-15-5-1-2-6-17(15)13-18/h1-9,12-13H,10H2
InChIKeyGIKNZWKOMZDANU-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.57
Rot. Bonds2

About 2-(3-naphthalen-2-ylphenyl)acetonitrile

2-(3-naphthalen-2-ylphenyl)acetonitrile (PubChem CID 118847574) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylphenyl)acetonitrile
PubChem CID118847574
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name2-(3-naphthalen-2-ylphenyl)acetonitrile
SMILESN#CCc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13N/c19-11-10-14-4-3-7-16(12-14)18-9-8-15-5-1-2-6-17(15)13-18/h1-9,12-13H,10H2
InChIKeyGIKNZWKOMZDANU-UHFFFAOYSA-N
XLogP4.57
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylphenyl)acetonitrile?
The IUPAC name of 2-(3-naphthalen-2-ylphenyl)acetonitrile (CID 118847574) is 2-(3-naphthalen-2-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-naphthalen-2-ylphenyl)acetonitrile?
The canonical SMILES for 2-(3-naphthalen-2-ylphenyl)acetonitrile is N#CCc1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-naphthalen-2-ylphenyl)acetonitrile?
The InChIKey is GIKNZWKOMZDANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-11-10-14-4-3-7-16(12-14)18-9-8-15-5-1-2-6-17(15)13-18/h1-9,12-13H,10H2.
What are the key properties of 2-(3-naphthalen-2-ylphenyl)acetonitrile?
2-(3-naphthalen-2-ylphenyl)acetonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylphenyl)acetonitrile is sourced from PubChem (CID 118847574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).