2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine

C41H39N3 — CID 162495590

IUPAC2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine
SMILESCC(CCc1cccc(-c2cccc(CCC(C)(c3ccccc3)c3ccccn3)n2)c1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C41H39N3/c1-40(34-17-5-3-6-18-34,38-23-9-11-29-42-38)27-25-32-15-13-16-33(31-32)37-22-14-21-36(44-37)26-28-41(2,35-19-7-4-8-20-35)39-24-10-12-30-43-39/h3-24,29-31H,25-28H2,1-2H3
InChIKeyGXWYFNLVBWGYGM-UHFFFAOYSA-N
MW573.78 g/mol
LogP9.42
Rot. Bonds11

About 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine

2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine (PubChem CID 162495590) has the molecular formula C41H39N3 and a molecular weight of 573.78 g/mol. Its IUPAC name is 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine
PubChem CID162495590
Molecular FormulaC41H39N3
Molecular Weight573.78 g/mol
Exact Mass573.31
IUPAC Name2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine
SMILESCC(CCc1cccc(-c2cccc(CCC(C)(c3ccccc3)c3ccccn3)n2)c1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C41H39N3/c1-40(34-17-5-3-6-18-34,38-23-9-11-29-42-38)27-25-32-15-13-16-33(31-32)37-22-14-21-36(44-37)26-28-41(2,35-19-7-4-8-20-35)39-24-10-12-30-43-39/h3-24,29-31H,25-28H2,1-2H3
InChIKeyGXWYFNLVBWGYGM-UHFFFAOYSA-N
XLogP9.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.78
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine
CID 162495577
2-(1-phenyl-2-pyridin-2-ylpropan-2-yl)-6-[3-(1-phenyl-2-pyridin-2-ylpropan-2-yl)phenyl]pyridine
CID 162495630
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol
CID 171052701
2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
CID 140805992
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
2-[2-(3-phenylphenyl)propan-2-yl]-6-(5-pyridin-2-yl-3-pyridinyl)pyridine
CID 58004258
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
1-(4-phenylphenyl)-2-[8-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-6-yl]-1-pyridin-2-ylethanol
CID 171052708
(3,5-ditert-butylphenyl)-(6-phenyl-2-pyridinyl)-(3-pyridin-2-ylphenyl)borane
CID 140800998
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine?
The IUPAC name of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine (CID 162495590) is 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine.
What is the SMILES notation for 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine?
The canonical SMILES for 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine is CC(CCc1cccc(-c2cccc(CCC(C)(c3ccccc3)c3ccccn3)n2)c1)(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine?
The InChIKey is GXWYFNLVBWGYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39N3/c1-40(34-17-5-3-6-18-34,38-23-9-11-29-42-38)27-25-32-15-13-16-33(31-32)37-22-14-21-36(44-37)26-28-41(2,35-19-7-4-8-20-35)39-24-10-12-30-43-39/h3-24,29-31H,25-28H2,1-2H3.
What are the key properties of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine?
2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine has a molecular weight of 573.78 g/mol, XLogP of 9.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine is sourced from PubChem (CID 162495590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).