2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine

C122H180N4O2 — CID 88656203

IUPAC2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1.CCCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCCCC)cn4)cc3)C3CCC(CCCC)CC3)C3CCC(CCCC)CC3)cc2)nc1
InChIInChI=1S/C62H92N2O.C60H88N2O/c1-5-9-13-15-17-19-21-25-51-31-45-59(63-47-51)53-37-41-57(42-38-53)61(55-33-27-49(28-34-55)23-11-7-3)65-62(56-35-29-50(30-36-56)24-12-8-4)58-43-39-54(40-44-58)60-46-32-52(48-64-60)26-22-20-18-16-14-10-6-2;1-5-9-11-13-15-17-19-23-49-29-43-57(61-45-49)51-35-39-55(40-36-51)59(53-31-25-47(21-7-3)26-32-53)63-60(54-33-27-48(22-8-4)28-34-54)56-41-37-52(38-42-56)58-44-30-50(46-62-58)24-20-18-16-14-12-10-6-2/h31-32,37-50,55-56,61-62H,5-30,33-36H2,1-4H3;29-30,35-48,53-54,59-60H,5-28,31-34H2,1-4H3
InChIKeyQTUHJTVNIDUACI-UHFFFAOYSA-N
MW1734.81 g/mol
LogP37.60
Rot. Bonds58

About 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine

2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine (PubChem CID 88656203) has the molecular formula C122H180N4O2 and a molecular weight of 1734.81 g/mol. Its IUPAC name is 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine
PubChem CID88656203
Molecular FormulaC122H180N4O2
Molecular Weight1734.81 g/mol
Exact Mass1733.41
IUPAC Name2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1.CCCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCCCC)cn4)cc3)C3CCC(CCCC)CC3)C3CCC(CCCC)CC3)cc2)nc1
InChIInChI=1S/C62H92N2O.C60H88N2O/c1-5-9-13-15-17-19-21-25-51-31-45-59(63-47-51)53-37-41-57(42-38-53)61(55-33-27-49(28-34-55)23-11-7-3)65-62(56-35-29-50(30-36-56)24-12-8-4)58-43-39-54(40-44-58)60-46-32-52(48-64-60)26-22-20-18-16-14-10-6-2;1-5-9-11-13-15-17-19-23-49-29-43-57(61-45-49)51-35-39-55(40-36-51)59(53-31-25-47(21-7-3)26-32-53)63-60(54-33-27-48(22-8-4)28-34-54)56-41-37-52(38-42-56)58-44-30-50(46-62-58)24-20-18-16-14-12-10-6-2/h31-32,37-50,55-56,61-62H,5-30,33-36H2,1-4H3;29-30,35-48,53-54,59-60H,5-28,31-34H2,1-4H3
InChIKeyQTUHJTVNIDUACI-UHFFFAOYSA-N
XLogP37.60
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds58
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001734.81
LogP ≤ 537.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)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 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
The IUPAC name of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine (CID 88656203) is 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine is CCCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1.CCCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCCCC)cn4)cc3)C3CCC(CCCC)CC3)C3CCC(CCCC)CC3)cc2)nc1.
What is the InChIKey of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
The InChIKey is QTUHJTVNIDUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H92N2O.C60H88N2O/c1-5-9-13-15-17-19-21-25-51-31-45-59(63-47-51)53-37-41-57(42-38-53)61(55-33-27-49(28-34-55)23-11-7-3)65-62(56-35-29-50(30-36-56)24-12-8-4)58-43-39-54(40-44-58)60-46-32-52(48-64-60)26-22-20-18-16-14-10-6-2;1-5-9-11-13-15-17-19-23-49-29-43-57(61-45-49)51-35-39-55(40-36-51)59(53-31-25-47(21-7-3)26-32-53)63-60(54-33-27-48(22-8-4)28-34-54)56-41-37-52(38-42-56)58-44-30-50(46-62-58)24-20-18-16-14-12-10-6-2/h31-32,37-50,55-56,61-62H,5-30,33-36H2,1-4H3;29-30,35-48,53-54,59-60H,5-28,31-34H2,1-4H3.
What are the key properties of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine has a molecular weight of 1734.81 g/mol, XLogP of 37.60, 58 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-nonyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-nonylpyridine;5-nonyl-2-[4-[[[4-(5-nonyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine is sourced from PubChem (CID 88656203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).