2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine

C57H73NO2 — CID 90685437

IUPAC2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine
SMILESCCc1ccc(Cc2ccc(CC3OCC(CC4CCC(C)CC4)CO3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC4CCC(C)CC4)cn3)cc2)cc1
InChIInChI=1S/C29H35N.C28H38O2/c1-3-23-8-10-25(11-9-23)18-26-12-14-27(15-13-26)20-29-17-16-28(21-30-29)19-24-6-4-22(2)5-7-24;1-3-22-8-10-24(11-9-22)16-25-12-14-26(15-13-25)18-28-29-19-27(20-30-28)17-23-6-4-21(2)5-7-23/h8-17,21-22,24H,3-7,18-20H2,1-2H3;8-15,21,23,27-28H,3-7,16-20H2,1-2H3
InChIKeyOUAOKZGTVBHNHM-UHFFFAOYSA-N
MW804.22 g/mol
LogP13.78
Rot. Bonds14

About 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine

2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine (PubChem CID 90685437) has the molecular formula C57H73NO2 and a molecular weight of 804.22 g/mol. Its IUPAC name is 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine
PubChem CID90685437
Molecular FormulaC57H73NO2
Molecular Weight804.22 g/mol
Exact Mass803.56
IUPAC Name2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine
SMILESCCc1ccc(Cc2ccc(CC3OCC(CC4CCC(C)CC4)CO3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC4CCC(C)CC4)cn3)cc2)cc1
InChIInChI=1S/C29H35N.C28H38O2/c1-3-23-8-10-25(11-9-23)18-26-12-14-27(15-13-26)20-29-17-16-28(21-30-29)19-24-6-4-22(2)5-7-24;1-3-22-8-10-24(11-9-22)16-25-12-14-26(15-13-25)18-28-29-19-27(20-30-28)17-23-6-4-21(2)5-7-23/h8-17,21-22,24H,3-7,18-20H2,1-2H3;8-15,21,23,27-28H,3-7,16-20H2,1-2H3
InChIKeyOUAOKZGTVBHNHM-UHFFFAOYSA-N
XLogP13.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.22
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine?
The IUPAC name of 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine (CID 90685437) is 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine.
What is the SMILES notation for 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine?
The canonical SMILES for 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine is CCc1ccc(Cc2ccc(CC3OCC(CC4CCC(C)CC4)CO3)cc2)cc1.CCc1ccc(Cc2ccc(Cc3ccc(CC4CCC(C)CC4)cn3)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine?
The InChIKey is OUAOKZGTVBHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N.C28H38O2/c1-3-23-8-10-25(11-9-23)18-26-12-14-27(15-13-26)20-29-17-16-28(21-30-29)19-24-6-4-22(2)5-7-24;1-3-22-8-10-24(11-9-22)16-25-12-14-26(15-13-25)18-28-29-19-27(20-30-28)17-23-6-4-21(2)5-7-23/h8-17,21-22,24H,3-7,18-20H2,1-2H3;8-15,21,23,27-28H,3-7,16-20H2,1-2H3.
What are the key properties of 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine?
2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine has a molecular weight of 804.22 g/mol, XLogP of 13.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]-1,3-dioxane;2-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-5-[(4-methylcyclohexyl)methyl]pyridine is sourced from PubChem (CID 90685437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).