2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine

C28H28N4 — CID 58652114

IUPAC2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
SMILESc1ccc(C2CC(c3ccccn3)CC(c3ccccn3)CC(c3ccccn3)C2)nc1
InChIInChI=1S/C28H28N4/c1-5-13-29-25(9-1)21-17-22(26-10-2-6-14-30-26)19-24(28-12-4-8-16-32-28)20-23(18-21)27-11-3-7-15-31-27/h1-16,21-24H,17-20H2
InChIKeyMQYOPLCTEFQHJG-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.28
Rot. Bonds4

About 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine

2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine (PubChem CID 58652114) has the molecular formula C28H28N4 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine.

Molecular Properties

Compound Name2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
PubChem CID58652114
Molecular FormulaC28H28N4
Molecular Weight420.56 g/mol
Exact Mass420.23
IUPAC Name2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
SMILESc1ccc(C2CC(c3ccccn3)CC(c3ccccn3)CC(c3ccccn3)C2)nc1
InChIInChI=1S/C28H28N4/c1-5-13-29-25(9-1)21-17-22(26-10-2-6-14-30-26)19-24(28-12-4-8-16-32-28)20-23(18-21)27-11-3-7-15-31-27/h1-16,21-24H,17-20H2
InChIKeyMQYOPLCTEFQHJG-UHFFFAOYSA-N
XLogP6.28
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine?
The IUPAC name of 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine (CID 58652114) is 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine.
What is the SMILES notation for 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine?
The canonical SMILES for 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine is c1ccc(C2CC(c3ccccn3)CC(c3ccccn3)CC(c3ccccn3)C2)nc1.
What is the InChIKey of 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine?
The InChIKey is MQYOPLCTEFQHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4/c1-5-13-29-25(9-1)21-17-22(26-10-2-6-14-30-26)19-24(28-12-4-8-16-32-28)20-23(18-21)27-11-3-7-15-31-27/h1-16,21-24H,17-20H2.
What are the key properties of 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine?
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine has a molecular weight of 420.56 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine is sourced from PubChem (CID 58652114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).