5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine

C48H64N2O — CID 70425977

IUPAC5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C48H64N2O/c1-5-9-35-13-19-41(20-14-35)47(43-27-23-39(24-28-43)45-31-17-37(11-7-3)33-49-45)51-48(42-21-15-36(10-6-2)16-22-42)44-29-25-40(26-30-44)46-32-18-38(12-8-4)34-50-46/h17-18,23-36,41-42,47-48H,5-16,19-22H2,1-4H3
InChIKeyZZMDLNVMTFTXDN-UHFFFAOYSA-N
MW685.05 g/mol
LogP13.73
Rot. Bonds16

About 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine

5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine (PubChem CID 70425977) has the molecular formula C48H64N2O and a molecular weight of 685.05 g/mol. Its IUPAC name is 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine.

Molecular Properties

Compound Name5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine
PubChem CID70425977
Molecular FormulaC48H64N2O
Molecular Weight685.05 g/mol
Exact Mass684.50
IUPAC Name5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C48H64N2O/c1-5-9-35-13-19-41(20-14-35)47(43-27-23-39(24-28-43)45-31-17-37(11-7-3)33-49-45)51-48(42-21-15-36(10-6-2)16-22-42)44-29-25-40(26-30-44)46-32-18-38(12-8-4)34-50-46/h17-18,23-36,41-42,47-48H,5-16,19-22H2,1-4H3
InChIKeyZZMDLNVMTFTXDN-UHFFFAOYSA-N
XLogP13.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.05
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-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-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
The IUPAC name of 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine (CID 70425977) is 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine.
What is the SMILES notation for 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
The canonical SMILES for 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine is CCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1.
What is the InChIKey of 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
The InChIKey is ZZMDLNVMTFTXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64N2O/c1-5-9-35-13-19-41(20-14-35)47(43-27-23-39(24-28-43)45-31-17-37(11-7-3)33-49-45)51-48(42-21-15-36(10-6-2)16-22-42)44-29-25-40(26-30-44)46-32-18-38(12-8-4)34-50-46/h17-18,23-36,41-42,47-48H,5-16,19-22H2,1-4H3.
What are the key properties of 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine?
5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine has a molecular weight of 685.05 g/mol, XLogP of 13.73, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[4-[(4-propylcyclohexyl)-[(4-propylcyclohexyl)-[4-(5-propyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]pyridine is sourced from PubChem (CID 70425977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).