5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine

C46H60N2O — CID 67740617

IUPAC5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine
SMILESCCCC1CCC(C(OC(c2ccc(-c3ccc(CC)cc3)cn2)C2CCC(CCC)CC2)c2ccc(-c3ccc(CC)cc3)cn2)CC1
InChIInChI=1S/C46H60N2O/c1-5-9-35-15-23-39(24-16-35)45(43-29-27-41(31-47-43)37-19-11-33(7-3)12-20-37)49-46(40-25-17-36(10-6-2)18-26-40)44-30-28-42(32-48-44)38-21-13-34(8-4)14-22-38/h11-14,19-22,27-32,35-36,39-40,45-46H,5-10,15-18,23-26H2,1-4H3
InChIKeyAVVRERFGMOQGBJ-UHFFFAOYSA-N
MW657.00 g/mol
LogP12.95
Rot. Bonds14

About 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine

5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine (PubChem CID 67740617) has the molecular formula C46H60N2O and a molecular weight of 657.00 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine
PubChem CID67740617
Molecular FormulaC46H60N2O
Molecular Weight657.00 g/mol
Exact Mass656.47
IUPAC Name5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine
SMILESCCCC1CCC(C(OC(c2ccc(-c3ccc(CC)cc3)cn2)C2CCC(CCC)CC2)c2ccc(-c3ccc(CC)cc3)cn2)CC1
InChIInChI=1S/C46H60N2O/c1-5-9-35-15-23-39(24-16-35)45(43-29-27-41(31-47-43)37-19-11-33(7-3)12-20-37)49-46(40-25-17-36(10-6-2)18-26-40)44-30-28-42(32-48-44)38-21-13-34(8-4)14-22-38/h11-14,19-22,27-32,35-36,39-40,45-46H,5-10,15-18,23-26H2,1-4H3
InChIKeyAVVRERFGMOQGBJ-UHFFFAOYSA-N
XLogP12.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.00
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine?
The IUPAC name of 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine (CID 67740617) is 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine.
What is the SMILES notation for 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine?
The canonical SMILES for 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine is CCCC1CCC(C(OC(c2ccc(-c3ccc(CC)cc3)cn2)C2CCC(CCC)CC2)c2ccc(-c3ccc(CC)cc3)cn2)CC1.
What is the InChIKey of 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine?
The InChIKey is AVVRERFGMOQGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60N2O/c1-5-9-35-15-23-39(24-16-35)45(43-29-27-41(31-47-43)37-19-11-33(7-3)12-20-37)49-46(40-25-17-36(10-6-2)18-26-40)44-30-28-42(32-48-44)38-21-13-34(8-4)14-22-38/h11-14,19-22,27-32,35-36,39-40,45-46H,5-10,15-18,23-26H2,1-4H3.
What are the key properties of 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine?
5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine has a molecular weight of 657.00 g/mol, XLogP of 12.95, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-[[[5-(4-ethylphenyl)-2-pyridinyl]-(4-propylcyclohexyl)methoxy]-(4-propylcyclohexyl)methyl]pyridine is sourced from PubChem (CID 67740617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).