4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine

C33H36N6 — CID 162653636

IUPAC4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCn1cc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)nn1
InChIInChI=1S/C33H36N6/c1-2-3-4-5-6-7-8-13-22-39-25-33(37-38-39)27-18-16-26(17-19-27)28-23-31(29-14-9-11-20-34-29)36-32(24-28)30-15-10-12-21-35-30/h9-12,14-21,23-25H,2-8,13,22H2,1H3
InChIKeyIPNHHWMEUBLGLU-UHFFFAOYSA-N
MW516.69 g/mol
LogP8.27
Rot. Bonds13

About 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 162653636) has the molecular formula C33H36N6 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID162653636
Molecular FormulaC33H36N6
Molecular Weight516.69 g/mol
Exact Mass516.30
IUPAC Name4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCn1cc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)nn1
InChIInChI=1S/C33H36N6/c1-2-3-4-5-6-7-8-13-22-39-25-33(37-38-39)27-18-16-26(17-19-27)28-23-31(29-14-9-11-20-34-29)36-32(24-28)30-15-10-12-21-35-30/h9-12,14-21,23-25H,2-8,13,22H2,1H3
InChIKeyIPNHHWMEUBLGLU-UHFFFAOYSA-N
XLogP8.27
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine 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-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 162653636) is 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine is CCCCCCCCCCn1cc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)nn1.
What is the InChIKey of 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is IPNHHWMEUBLGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6/c1-2-3-4-5-6-7-8-13-22-39-25-33(37-38-39)27-18-16-26(17-19-27)28-23-31(29-14-9-11-20-34-29)36-32(24-28)30-15-10-12-21-35-30/h9-12,14-21,23-25H,2-8,13,22H2,1H3.
What are the key properties of 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 516.69 g/mol, XLogP of 8.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-decyltriazol-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 162653636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).