5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine

C114H164N4O2 — CID 88656014

IUPAC5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCC1CCC(C(OC(c2ccc(-c3ccc(CCCC)cn3)cc2)C2CCC(CCCCCC)CC2)c2ccc(-c3ccc(CCCC)cn3)cc2)CC1.CCCCCCCC1CCC(C(OC(c2ccc(-c3ccc(CCCC)cn3)cc2)C2CCC(CCCCCCC)CC2)c2ccc(-c3ccc(CCCC)cn3)cc2)CC1
InChIInChI=1S/C58H84N2O.C56H80N2O/c1-5-9-13-15-17-21-45-23-29-51(30-24-45)57(53-37-33-49(34-38-53)55-41-27-47(43-59-55)19-11-7-3)61-58(52-31-25-46(26-32-52)22-18-16-14-10-6-2)54-39-35-50(36-40-54)56-42-28-48(44-60-56)20-12-8-4;1-5-9-13-15-19-43-21-27-49(28-22-43)55(51-35-31-47(32-36-51)53-39-25-45(41-57-53)17-11-7-3)59-56(50-29-23-44(24-30-50)20-16-14-10-6-2)52-37-33-48(34-38-52)54-40-26-46(42-58-54)18-12-8-4/h27-28,33-46,51-52,57-58H,5-26,29-32H2,1-4H3;25-26,31-44,49-50,55-56H,5-24,27-30H2,1-4H3
InChIKeyYEDFGMHLGYSPFH-UHFFFAOYSA-N
MW1622.59 g/mol
LogP34.48
Rot. Bonds50

About 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine

5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine (PubChem CID 88656014) has the molecular formula C114H164N4O2 and a molecular weight of 1622.59 g/mol. Its IUPAC name is 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine
PubChem CID88656014
Molecular FormulaC114H164N4O2
Molecular Weight1622.59 g/mol
Exact Mass1621.29
IUPAC Name5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCC1CCC(C(OC(c2ccc(-c3ccc(CCCC)cn3)cc2)C2CCC(CCCCCC)CC2)c2ccc(-c3ccc(CCCC)cn3)cc2)CC1.CCCCCCCC1CCC(C(OC(c2ccc(-c3ccc(CCCC)cn3)cc2)C2CCC(CCCCCCC)CC2)c2ccc(-c3ccc(CCCC)cn3)cc2)CC1
InChIInChI=1S/C58H84N2O.C56H80N2O/c1-5-9-13-15-17-21-45-23-29-51(30-24-45)57(53-37-33-49(34-38-53)55-41-27-47(43-59-55)19-11-7-3)61-58(52-31-25-46(26-32-52)22-18-16-14-10-6-2)54-39-35-50(36-40-54)56-42-28-48(44-60-56)20-12-8-4;1-5-9-13-15-19-43-21-27-49(28-22-43)55(51-35-31-47(32-36-51)53-39-25-45(41-57-53)17-11-7-3)59-56(50-29-23-44(24-30-50)20-16-14-10-6-2)52-37-33-48(34-38-52)54-40-26-46(42-58-54)18-12-8-4/h27-28,33-46,51-52,57-58H,5-26,29-32H2,1-4H3;25-26,31-44,49-50,55-56H,5-24,27-30H2,1-4H3
InChIKeyYEDFGMHLGYSPFH-UHFFFAOYSA-N
XLogP34.48
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds50
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.59
LogP ≤ 534.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
The IUPAC name of 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine (CID 88656014) is 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine.
What is the SMILES notation for 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
The canonical SMILES for 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine is CCCCCCC1CCC(C(OC(c2ccc(-c3ccc(CCCC)cn3)cc2)C2CCC(CCCCCC)CC2)c2ccc(-c3ccc(CCCC)cn3)cc2)CC1.CCCCCCCC1CCC(C(OC(c2ccc(-c3ccc(CCCC)cn3)cc2)C2CCC(CCCCCCC)CC2)c2ccc(-c3ccc(CCCC)cn3)cc2)CC1.
What is the InChIKey of 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
The InChIKey is YEDFGMHLGYSPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H84N2O.C56H80N2O/c1-5-9-13-15-17-21-45-23-29-51(30-24-45)57(53-37-33-49(34-38-53)55-41-27-47(43-59-55)19-11-7-3)61-58(52-31-25-46(26-32-52)22-18-16-14-10-6-2)54-39-35-50(36-40-54)56-42-28-48(44-60-56)20-12-8-4;1-5-9-13-15-19-43-21-27-49(28-22-43)55(51-35-31-47(32-36-51)53-39-25-45(41-57-53)17-11-7-3)59-56(50-29-23-44(24-30-50)20-16-14-10-6-2)52-37-33-48(34-38-52)54-40-26-46(42-58-54)18-12-8-4/h27-28,33-46,51-52,57-58H,5-26,29-32H2,1-4H3;25-26,31-44,49-50,55-56H,5-24,27-30H2,1-4H3.
What are the key properties of 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine has a molecular weight of 1622.59 g/mol, XLogP of 34.48, 50 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-heptylcyclohexyl)methoxy]-(4-heptylcyclohexyl)methyl]phenyl]pyridine;5-butyl-2-[4-[[[4-(5-butyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine is sourced from PubChem (CID 88656014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).