N,2,2-triphenylethenimine

C20H15N — CID 596998

IUPACN,2,2-triphenylethenimine
SMILESC(=Nc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-21-19-14-8-3-9-15-19/h1-15H
InChIKeyVQOIZBIQANZRDY-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.12
Rot. Bonds3

About N,2,2-triphenylethenimine

N,2,2-triphenylethenimine (PubChem CID 596998) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is N,2,2-triphenylethenimine.

Molecular Properties

Compound NameN,2,2-triphenylethenimine
PubChem CID596998
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC NameN,2,2-triphenylethenimine
SMILESC(=Nc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-21-19-14-8-3-9-15-19/h1-15H
InChIKeyVQOIZBIQANZRDY-UHFFFAOYSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triphenylethenimine?
The IUPAC name of N,2,2-triphenylethenimine (CID 596998) is N,2,2-triphenylethenimine.
What is the SMILES notation for N,2,2-triphenylethenimine?
The canonical SMILES for N,2,2-triphenylethenimine is C(=Nc1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N,2,2-triphenylethenimine?
The InChIKey is VQOIZBIQANZRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-21-19-14-8-3-9-15-19/h1-15H.
What are the key properties of N,2,2-triphenylethenimine?
N,2,2-triphenylethenimine has a molecular weight of 269.35 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triphenylethenimine is sourced from PubChem (CID 596998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).