5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine

C56H80N2O — CID 70426088

IUPAC5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C56H80N2O/c1-5-9-13-17-43-21-27-49(28-22-43)55(51-35-31-47(32-36-51)53-39-25-45(41-57-53)19-15-11-7-3)59-56(50-29-23-44(24-30-50)18-14-10-6-2)52-37-33-48(34-38-52)54-40-26-46(42-58-54)20-16-12-8-4/h25-26,31-44,49-50,55-56H,5-24,27-30H2,1-4H3
InChIKeyGJLBLGRZKBPBCG-UHFFFAOYSA-N
MW797.27 g/mol
LogP16.85
Rot. Bonds24

About 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine

5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine (PubChem CID 70426088) has the molecular formula C56H80N2O and a molecular weight of 797.27 g/mol. Its IUPAC name is 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine.

Molecular Properties

Compound Name5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine
PubChem CID70426088
Molecular FormulaC56H80N2O
Molecular Weight797.27 g/mol
Exact Mass796.63
IUPAC Name5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C56H80N2O/c1-5-9-13-17-43-21-27-49(28-22-43)55(51-35-31-47(32-36-51)53-39-25-45(41-57-53)19-15-11-7-3)59-56(50-29-23-44(24-30-50)18-14-10-6-2)52-37-33-48(34-38-52)54-40-26-46(42-58-54)20-16-12-8-4/h25-26,31-44,49-50,55-56H,5-24,27-30H2,1-4H3
InChIKeyGJLBLGRZKBPBCG-UHFFFAOYSA-N
XLogP16.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.27
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
The IUPAC name of 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine (CID 70426088) is 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine.
What is the SMILES notation for 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
The canonical SMILES for 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine is CCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)nc1.
What is the InChIKey of 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
The InChIKey is GJLBLGRZKBPBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H80N2O/c1-5-9-13-17-43-21-27-49(28-22-43)55(51-35-31-47(32-36-51)53-39-25-45(41-57-53)19-15-11-7-3)59-56(50-29-23-44(24-30-50)18-14-10-6-2)52-37-33-48(34-38-52)54-40-26-46(42-58-54)20-16-12-8-4/h25-26,31-44,49-50,55-56H,5-24,27-30H2,1-4H3.
What are the key properties of 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine has a molecular weight of 797.27 g/mol, XLogP of 16.85, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-[(4-pentylcyclohexyl)-[(4-pentylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine is sourced from PubChem (CID 70426088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).