6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine

C39H52N2 — CID 144579274

IUPAC6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine
SMILESCC.CC.CC1=CC(c2ccccc2C(C)C)NC=C1c1ccccc1.Cc1cccc(C)c1C1=CC=CCN1C
InChIInChI=1S/C21H23N.C14H17N.2C2H6/c1-15(2)18-11-7-8-12-19(18)21-13-16(3)20(14-22-21)17-9-5-4-6-10-17;1-11-7-6-8-12(2)14(11)13-9-4-5-10-15(13)3;2*1-2/h4-15,21-22H,1-3H3;4-9H,10H2,1-3H3;2*1-2H3
InChIKeyPLBMICPGAXARDC-UHFFFAOYSA-N
MW548.86 g/mol
LogP10.64
Rot. Bonds4

About 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine

6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine (PubChem CID 144579274) has the molecular formula C39H52N2 and a molecular weight of 548.86 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine
PubChem CID144579274
Molecular FormulaC39H52N2
Molecular Weight548.86 g/mol
Exact Mass548.41
IUPAC Name6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine
SMILESCC.CC.CC1=CC(c2ccccc2C(C)C)NC=C1c1ccccc1.Cc1cccc(C)c1C1=CC=CCN1C
InChIInChI=1S/C21H23N.C14H17N.2C2H6/c1-15(2)18-11-7-8-12-19(18)21-13-16(3)20(14-22-21)17-9-5-4-6-10-17;1-11-7-6-8-12(2)14(11)13-9-4-5-10-15(13)3;2*1-2/h4-15,21-22H,1-3H3;4-9H,10H2,1-3H3;2*1-2H3
InChIKeyPLBMICPGAXARDC-UHFFFAOYSA-N
XLogP10.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.86
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine?
The IUPAC name of 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine (CID 144579274) is 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine?
The canonical SMILES for 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine is CC.CC.CC1=CC(c2ccccc2C(C)C)NC=C1c1ccccc1.Cc1cccc(C)c1C1=CC=CCN1C.
What is the InChIKey of 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine?
The InChIKey is PLBMICPGAXARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N.C14H17N.2C2H6/c1-15(2)18-11-7-8-12-19(18)21-13-16(3)20(14-22-21)17-9-5-4-6-10-17;1-11-7-6-8-12(2)14(11)13-9-4-5-10-15(13)3;2*1-2/h4-15,21-22H,1-3H3;4-9H,10H2,1-3H3;2*1-2H3.
What are the key properties of 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine?
6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine has a molecular weight of 548.86 g/mol, XLogP of 10.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine is sourced from PubChem (CID 144579274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).