5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine

C62H92N2O — CID 70425965

IUPAC5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCCCC)CC3)C3CCC(CCCCCC)CC3)cc2)nc1
InChIInChI=1S/C62H92N2O/c1-5-9-13-17-21-25-51-31-45-59(63-47-51)53-37-41-57(42-38-53)61(55-33-27-49(28-34-55)23-19-15-11-7-3)65-62(56-35-29-50(30-36-56)24-20-16-12-8-4)58-43-39-54(40-44-58)60-46-32-52(48-64-60)26-22-18-14-10-6-2/h31-32,37-50,55-56,61-62H,5-30,33-36H2,1-4H3
InChIKeyWLAZZJLIHJAFGN-UHFFFAOYSA-N
MW881.43 g/mol
LogP19.19
Rot. Bonds30

About 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine

5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine (PubChem CID 70425965) has the molecular formula C62H92N2O and a molecular weight of 881.43 g/mol. Its IUPAC name is 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine
PubChem CID70425965
Molecular FormulaC62H92N2O
Molecular Weight881.43 g/mol
Exact Mass880.72
IUPAC Name5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCCCC)CC3)C3CCC(CCCCCC)CC3)cc2)nc1
InChIInChI=1S/C62H92N2O/c1-5-9-13-17-21-25-51-31-45-59(63-47-51)53-37-41-57(42-38-53)61(55-33-27-49(28-34-55)23-19-15-11-7-3)65-62(56-35-29-50(30-36-56)24-20-16-12-8-4)58-43-39-54(40-44-58)60-46-32-52(48-64-60)26-22-18-14-10-6-2/h31-32,37-50,55-56,61-62H,5-30,33-36H2,1-4H3
InChIKeyWLAZZJLIHJAFGN-UHFFFAOYSA-N
XLogP19.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.43
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
The IUPAC name of 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine (CID 70425965) is 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
The canonical SMILES for 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(C(OC(c3ccc(-c4ccc(CCCCCCC)cn4)cc3)C3CCC(CCCCCC)CC3)C3CCC(CCCCCC)CC3)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
The InChIKey is WLAZZJLIHJAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H92N2O/c1-5-9-13-17-21-25-51-31-45-59(63-47-51)53-37-41-57(42-38-53)61(55-33-27-49(28-34-55)23-19-15-11-7-3)65-62(56-35-29-50(30-36-56)24-20-16-12-8-4)58-43-39-54(40-44-58)60-46-32-52(48-64-60)26-22-18-14-10-6-2/h31-32,37-50,55-56,61-62H,5-30,33-36H2,1-4H3.
What are the key properties of 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine?
5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine has a molecular weight of 881.43 g/mol, XLogP of 19.19, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[4-[[[4-(5-heptyl-2-pyridinyl)phenyl]-(4-hexylcyclohexyl)methoxy]-(4-hexylcyclohexyl)methyl]phenyl]pyridine is sourced from PubChem (CID 70425965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).