2,3,3-triphenylprop-2-enenitrile

C21H15N — CID 22743

IUPAC2,3,3-triphenylprop-2-enenitrile
SMILESN#CC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKeyOPACMJHTQWVSKW-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.17
Rot. Bonds3

About 2,3,3-triphenylprop-2-enenitrile

2,3,3-triphenylprop-2-enenitrile (PubChem CID 22743) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3,3-triphenylprop-2-enenitrile.

Molecular Properties

Compound Name2,3,3-triphenylprop-2-enenitrile
PubChem CID22743
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name2,3,3-triphenylprop-2-enenitrile
SMILESN#CC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKeyOPACMJHTQWVSKW-UHFFFAOYSA-N
XLogP5.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-triphenylprop-2-enenitrile?
The IUPAC name of 2,3,3-triphenylprop-2-enenitrile (CID 22743) is 2,3,3-triphenylprop-2-enenitrile.
What is the SMILES notation for 2,3,3-triphenylprop-2-enenitrile?
The canonical SMILES for 2,3,3-triphenylprop-2-enenitrile is N#CC(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3,3-triphenylprop-2-enenitrile?
The InChIKey is OPACMJHTQWVSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H.
What are the key properties of 2,3,3-triphenylprop-2-enenitrile?
2,3,3-triphenylprop-2-enenitrile has a molecular weight of 281.36 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triphenylprop-2-enenitrile is sourced from PubChem (CID 22743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).