4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine

C21H21N — CID 10827160

IUPAC4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine
SMILESC(#Cc1ccccc1)CCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H21N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-14H,8,15-18H2
InChIKeyLVLZJQZUFDAJLN-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.22
Rot. Bonds3

About 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine

4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine (PubChem CID 10827160) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine
PubChem CID10827160
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine
SMILESC(#Cc1ccccc1)CCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H21N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-14H,8,15-18H2
InChIKeyLVLZJQZUFDAJLN-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine 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 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine (CID 10827160) is 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine is C(#Cc1ccccc1)CCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LVLZJQZUFDAJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-14H,8,15-18H2.
What are the key properties of 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine?
4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine has a molecular weight of 287.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-phenylbut-3-ynyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10827160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).