2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine

C32H34N4 — CID 58652054

IUPAC2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine
SMILESc1ccc(C2CC(c3ccccn3)CC(C3CC(c4ccccn4)CC(c4ccccn4)C3)C2)nc1
InChIInChI=1S/C32H34N4/c1-5-13-33-29(9-1)25-17-23(18-26(21-25)30-10-2-6-14-34-30)24-19-27(31-11-3-7-15-35-31)22-28(20-24)32-12-4-8-16-36-32/h1-16,23-28H,17-22H2
InChIKeySEZGBLLRRTUMRY-UHFFFAOYSA-N
MW474.65 g/mol
LogP7.30
Rot. Bonds5

About 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine

2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine (PubChem CID 58652054) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine.

Molecular Properties

Compound Name2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine
PubChem CID58652054
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine
SMILESc1ccc(C2CC(c3ccccn3)CC(C3CC(c4ccccn4)CC(c4ccccn4)C3)C2)nc1
InChIInChI=1S/C32H34N4/c1-5-13-33-29(9-1)25-17-23(18-26(21-25)30-10-2-6-14-34-30)24-19-27(31-11-3-7-15-35-31)22-28(20-24)32-12-4-8-16-36-32/h1-16,23-28H,17-22H2
InChIKeySEZGBLLRRTUMRY-UHFFFAOYSA-N
XLogP7.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine?
The IUPAC name of 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine (CID 58652054) is 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine.
What is the SMILES notation for 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine?
The canonical SMILES for 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine is c1ccc(C2CC(c3ccccn3)CC(C3CC(c4ccccn4)CC(c4ccccn4)C3)C2)nc1.
What is the InChIKey of 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine?
The InChIKey is SEZGBLLRRTUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4/c1-5-13-33-29(9-1)25-17-23(18-26(21-25)30-10-2-6-14-34-30)24-19-27(31-11-3-7-15-35-31)22-28(20-24)32-12-4-8-16-36-32/h1-16,23-28H,17-22H2.
What are the key properties of 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine?
2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine has a molecular weight of 474.65 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dipyridin-2-ylcyclohexyl)-5-pyridin-2-ylcyclohexyl]pyridine is sourced from PubChem (CID 58652054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).