1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine

C31H32N2O — CID 21151196

IUPAC1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)C(C)Oc1ccc(/C(=C(\c2ccccc2)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C31H32N2O/c1-4-33(5-2)24(3)34-28-21-19-27(20-22-28)30(25-14-8-6-9-15-25)31(26-16-10-7-11-17-26)29-18-12-13-23-32-29/h6-24H,4-5H2,1-3H3/b31-30+
InChIKeyUQCLHBHPMCIJAD-NVQSTNCTSA-N
MW448.61 g/mol
LogP7.16
Rot. Bonds9

About 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine

1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine (PubChem CID 21151196) has the molecular formula C31H32N2O and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine
PubChem CID21151196
Molecular FormulaC31H32N2O
Molecular Weight448.61 g/mol
Exact Mass448.25
IUPAC Name1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)C(C)Oc1ccc(/C(=C(\c2ccccc2)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C31H32N2O/c1-4-33(5-2)24(3)34-28-21-19-27(20-22-28)30(25-14-8-6-9-15-25)31(26-16-10-7-11-17-26)29-18-12-13-23-32-29/h6-24H,4-5H2,1-3H3/b31-30+
InChIKeyUQCLHBHPMCIJAD-NVQSTNCTSA-N
XLogP7.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine (CID 21151196) is 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine is CCN(CC)C(C)Oc1ccc(/C(=C(\c2ccccc2)c2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine?
The InChIKey is UQCLHBHPMCIJAD-NVQSTNCTSA-N. The full InChI is InChI=1S/C31H32N2O/c1-4-33(5-2)24(3)34-28-21-19-27(20-22-28)30(25-14-8-6-9-15-25)31(26-16-10-7-11-17-26)29-18-12-13-23-32-29/h6-24H,4-5H2,1-3H3/b31-30+.
What are the key properties of 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine?
1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine has a molecular weight of 448.61 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 21151196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).