2,2-diphenylacetonitrile

C14H11N — CID 6837

IUPAC2,2-diphenylacetonitrile
SMILESN#CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKeyNEBPTMCRLHKPOB-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.34
Rot. Bonds2

About 2,2-diphenylacetonitrile

2,2-diphenylacetonitrile (PubChem CID 6837) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,2-diphenylacetonitrile.

Molecular Properties

Compound Name2,2-diphenylacetonitrile
PubChem CID6837
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name2,2-diphenylacetonitrile
SMILESN#CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKeyNEBPTMCRLHKPOB-UHFFFAOYSA-N
XLogP3.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylacetonitrile?
The IUPAC name of 2,2-diphenylacetonitrile (CID 6837) is 2,2-diphenylacetonitrile.
What is the SMILES notation for 2,2-diphenylacetonitrile?
The canonical SMILES for 2,2-diphenylacetonitrile is N#CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylacetonitrile?
The InChIKey is NEBPTMCRLHKPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H.
What are the key properties of 2,2-diphenylacetonitrile?
2,2-diphenylacetonitrile has a molecular weight of 193.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylacetonitrile is sourced from PubChem (CID 6837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).