2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane

C22H27NO — CID 144831127

IUPAC2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
SMILESCC.CC.CC1=CC(c2cccc3c2oc2ccccc23)NC=C1
InChIInChI=1S/C18H15NO.2C2H6/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-2/h2-11,16,19H,1H3;2*1-2H3
InChIKeyCEPYAANAYRWIDO-UHFFFAOYSA-N
MW321.46 g/mol
LogP6.74
Rot. Bonds1

About 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane

2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane (PubChem CID 144831127) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
PubChem CID144831127
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
SMILESCC.CC.CC1=CC(c2cccc3c2oc2ccccc23)NC=C1
InChIInChI=1S/C18H15NO.2C2H6/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-2/h2-11,16,19H,1H3;2*1-2H3
InChIKeyCEPYAANAYRWIDO-UHFFFAOYSA-N
XLogP6.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
2-dibenzofuran-2-yl-4-methyl-1,2-dihydropyridine
CID 126614510
4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine
CID 135303490
4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 146532214
2-dibenzofuran-4-yl-1,5-dimethyl-2H-pyridine
CID 144831133
4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine
CID 144815816
2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine
CID 145051701
3-methyl-2H-[1]benzofuro[2,3-c]pyrrole
CID 130318214
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
2-dibenzofuran-4-yl-2H-pyrrole
CID 71047554
12H-[1]benzofuro[2,3-a]carbazole;ethane
CID 145125553
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane?
The IUPAC name of 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane (CID 144831127) is 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane?
The canonical SMILES for 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane is CC.CC.CC1=CC(c2cccc3c2oc2ccccc23)NC=C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane?
The InChIKey is CEPYAANAYRWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO.2C2H6/c1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-2/h2-11,16,19H,1H3;2*1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane?
2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane has a molecular weight of 321.46 g/mol, XLogP of 6.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane is sourced from PubChem (CID 144831127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).