2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine

C102H140N4O2 — CID 88655870

IUPAC2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CC)CC3)C3CCC(CC)CC3)cc2)nc1.CCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C52H72N2O.C50H68N2O/c1-5-9-11-15-41-21-35-49(53-37-41)43-27-31-47(32-28-43)51(45-23-17-39(13-7-3)18-24-45)55-52(46-25-19-40(14-8-4)20-26-46)48-33-29-44(30-34-48)50-36-22-42(38-54-50)16-12-10-6-2;1-5-9-11-13-39-19-33-47(51-35-39)41-25-29-45(30-26-41)49(43-21-15-37(7-3)16-22-43)53-50(44-23-17-38(8-4)18-24-44)46-31-27-42(28-32-46)48-34-20-40(36-52-48)14-12-10-6-2/h21-22,27-40,45-46,51-52H,5-20,23-26H2,1-4H3;19-20,25-38,43-44,49-50H,5-18,21-24H2,1-4H3
InChIKeyLTKAJKODSCTOLR-UHFFFAOYSA-N
MW1454.27 g/mol
LogP29.80
Rot. Bonds38

About 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine

2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine (PubChem CID 88655870) has the molecular formula C102H140N4O2 and a molecular weight of 1454.27 g/mol. Its IUPAC name is 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine
PubChem CID88655870
Molecular FormulaC102H140N4O2
Molecular Weight1454.27 g/mol
Exact Mass1453.10
IUPAC Name2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CC)CC3)C3CCC(CC)CC3)cc2)nc1.CCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C52H72N2O.C50H68N2O/c1-5-9-11-15-41-21-35-49(53-37-41)43-27-31-47(32-28-43)51(45-23-17-39(13-7-3)18-24-45)55-52(46-25-19-40(14-8-4)20-26-46)48-33-29-44(30-34-48)50-36-22-42(38-54-50)16-12-10-6-2;1-5-9-11-13-39-19-33-47(51-35-39)41-25-29-45(30-26-41)49(43-21-15-37(7-3)16-22-43)53-50(44-23-17-38(8-4)18-24-44)46-31-27-42(28-32-46)48-34-20-40(36-52-48)14-12-10-6-2/h21-22,27-40,45-46,51-52H,5-20,23-26H2,1-4H3;19-20,25-38,43-44,49-50H,5-18,21-24H2,1-4H3
InChIKeyLTKAJKODSCTOLR-UHFFFAOYSA-N
XLogP29.80
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds38
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001454.27
LogP ≤ 529.80
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-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
The IUPAC name of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine (CID 88655870) is 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine is CCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CC)CC3)C3CCC(CC)CC3)cc2)nc1.CCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCC)cn4)cc3)C3CCC(CCC)CC3)C3CCC(CCC)CC3)cc2)nc1.
What is the InChIKey of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
The InChIKey is LTKAJKODSCTOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H72N2O.C50H68N2O/c1-5-9-11-15-41-21-35-49(53-37-41)43-27-31-47(32-28-43)51(45-23-17-39(13-7-3)18-24-45)55-52(46-25-19-40(14-8-4)20-26-46)48-33-29-44(30-34-48)50-36-22-42(38-54-50)16-12-10-6-2;1-5-9-11-13-39-19-33-47(51-35-39)41-25-29-45(30-26-41)49(43-21-15-37(7-3)16-22-43)53-50(44-23-17-38(8-4)18-24-44)46-31-27-42(28-32-46)48-34-20-40(36-52-48)14-12-10-6-2/h21-22,27-40,45-46,51-52H,5-20,23-26H2,1-4H3;19-20,25-38,43-44,49-50H,5-18,21-24H2,1-4H3.
What are the key properties of 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine?
2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine has a molecular weight of 1454.27 g/mol, XLogP of 29.80, 38 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylcyclohexyl)-[(4-ethylcyclohexyl)-[4-(5-pentyl-2-pyridinyl)phenyl]methoxy]methyl]phenyl]-5-pentylpyridine;5-pentyl-2-[4-[[[4-(5-pentyl-2-pyridinyl)phenyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]phenyl]pyridine is sourced from PubChem (CID 88655870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).