2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane

C26H37NO — CID 144815849

IUPAC2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane
SMILESCC.CC.CC.CC1=CC(c2c(C)ccc3c2oc2c(C)cccc23)NC=C1
InChIInChI=1S/C20H19NO.3C2H6/c1-12-9-10-21-17(11-12)18-13(2)7-8-16-15-6-4-5-14(3)19(15)22-20(16)18;3*1-2/h4-11,17,21H,1-3H3;3*1-2H3
InChIKeyGFAKFDNUDLFEFD-UHFFFAOYSA-N
MW379.59 g/mol
LogP8.39
Rot. Bonds1

About 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane

2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane (PubChem CID 144815849) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane.

Molecular Properties

Compound Name2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane
PubChem CID144815849
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane
SMILESCC.CC.CC.CC1=CC(c2c(C)ccc3c2oc2c(C)cccc23)NC=C1
InChIInChI=1S/C20H19NO.3C2H6/c1-12-9-10-21-17(11-12)18-13(2)7-8-16-15-6-4-5-14(3)19(15)22-20(16)18;3*1-2/h4-11,17,21H,1-3H3;3*1-2H3
InChIKeyGFAKFDNUDLFEFD-UHFFFAOYSA-N
XLogP8.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane?
The IUPAC name of 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane (CID 144815849) is 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane.
What is the SMILES notation for 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane?
The canonical SMILES for 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane is CC.CC.CC.CC1=CC(c2c(C)ccc3c2oc2c(C)cccc23)NC=C1.
What is the InChIKey of 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane?
The InChIKey is GFAKFDNUDLFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO.3C2H6/c1-12-9-10-21-17(11-12)18-13(2)7-8-16-15-6-4-5-14(3)19(15)22-20(16)18;3*1-2/h4-11,17,21H,1-3H3;3*1-2H3.
What are the key properties of 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane?
2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane has a molecular weight of 379.59 g/mol, XLogP of 8.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane is sourced from PubChem (CID 144815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).