2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine

C118H172N4O2 — CID 88655829

IUPAC2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCC)CC3)C3CCC(CCCC)CC3)cc2)nc1.CCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C60H88N2O.C58H84N2O/c1-5-9-13-15-19-23-49-29-43-57(61-45-49)51-35-39-55(40-36-51)59(53-31-25-47(26-32-53)21-17-11-7-3)63-60(54-33-27-48(28-34-54)22-18-12-8-4)56-41-37-52(38-42-56)58-44-30-50(46-62-58)24-20-16-14-10-6-2;1-5-9-13-15-17-21-47-27-41-55(59-43-47)49-33-37-53(38-34-49)57(51-29-23-45(24-30-51)19-11-7-3)61-58(52-31-25-46(26-32-52)20-12-8-4)54-39-35-50(36-40-54)56-42-28-48(44-60-56)22-18-16-14-10-6-2/h29-30,35-48,53-54,59-60H,5-28,31-34H2,1-4H3;27-28,33-46,51-52,57-58H,5-26,29-32H2,1-4H3
InChIKeyFKTOEEQQHAQIOX-UHFFFAOYSA-N
MW1678.70 g/mol
LogP36.04
Rot. Bonds54

About 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine

2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine (PubChem CID 88655829) has the molecular formula C118H172N4O2 and a molecular weight of 1678.70 g/mol. Its IUPAC name is 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine
PubChem CID88655829
Molecular FormulaC118H172N4O2
Molecular Weight1678.70 g/mol
Exact Mass1677.35
IUPAC Name2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCC)CC3)C3CCC(CCCC)CC3)cc2)nc1.CCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C60H88N2O.C58H84N2O/c1-5-9-13-15-19-23-49-29-43-57(61-45-49)51-35-39-55(40-36-51)59(53-31-25-47(26-32-53)21-17-11-7-3)63-60(54-33-27-48(28-34-54)22-18-12-8-4)56-41-37-52(38-42-56)58-44-30-50(46-62-58)24-20-16-14-10-6-2;1-5-9-13-15-17-21-47-27-41-55(59-43-47)49-33-37-53(38-34-49)57(51-29-23-45(24-30-51)19-11-7-3)61-58(52-31-25-46(26-32-52)20-12-8-4)54-39-35-50(36-40-54)56-42-28-48(44-60-56)22-18-16-14-10-6-2/h29-30,35-48,53-54,59-60H,5-28,31-34H2,1-4H3;27-28,33-46,51-52,57-58H,5-26,29-32H2,1-4H3
InChIKeyFKTOEEQQHAQIOX-UHFFFAOYSA-N
XLogP36.04
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds54
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001678.70
LogP ≤ 536.04
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-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine with MolForge

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Related Compounds

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4-[(R)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine?
The IUPAC name of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine (CID 88655829) is 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCC)CC3)C3CCC(CCCC)CC3)cc2)nc1.CCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)nc1.
What is the InChIKey of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine?
The InChIKey is FKTOEEQQHAQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H88N2O.C58H84N2O/c1-5-9-13-15-19-23-49-29-43-57(61-45-49)51-35-39-55(40-36-51)59(53-31-25-47(26-32-53)21-17-11-7-3)63-60(54-33-27-48(28-34-54)22-18-12-8-4)56-41-37-52(38-42-56)58-44-30-50(46-62-58)24-20-16-14-10-6-2;1-5-9-13-15-17-21-47-27-41-55(59-43-47)49-33-37-53(38-34-49)57(51-29-23-45(24-30-51)19-11-7-3)61-58(52-31-25-46(26-32-52)20-12-8-4)54-39-35-50(36-40-54)56-42-28-48(44-60-56)22-18-16-14-10-6-2/h29-30,35-48,53-54,59-60H,5-28,31-34H2,1-4H3;27-28,33-46,51-52,57-58H,5-26,29-32H2,1-4H3.
What are the key properties of 2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine?
2-[4-[(4-butylcyclohexyl)-[(4-butylcyclohexyl)-[4-(5-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine has a molecular weight of 1678.70 g/mol, XLogP of 36.04, 54 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-heptyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-heptylpyridine;5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyridine is sourced from PubChem (CID 88655829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).