2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine

C24H25NO — CID 145051701

IUPAC2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine
SMILESCC1=CC(c2cccc3c2oc2ccccc23)N(/C=C(\C)C(C)C)C=C1
InChIInChI=1S/C24H25NO/c1-16(2)18(4)15-25-13-12-17(3)14-22(25)21-10-7-9-20-19-8-5-6-11-23(19)26-24(20)21/h5-16,22H,1-4H3/b18-15+
InChIKeyUMVPKKKQHZTTDZ-OBGWFSINSA-N
MW343.47 g/mol
LogP6.96
Rot. Bonds3

About 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine

2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine (PubChem CID 145051701) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine
PubChem CID145051701
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine
SMILESCC1=CC(c2cccc3c2oc2ccccc23)N(/C=C(\C)C(C)C)C=C1
InChIInChI=1S/C24H25NO/c1-16(2)18(4)15-25-13-12-17(3)14-22(25)21-10-7-9-20-19-8-5-6-11-23(19)26-24(20)21/h5-16,22H,1-4H3/b18-15+
InChIKeyUMVPKKKQHZTTDZ-OBGWFSINSA-N
XLogP6.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
2-dibenzofuran-4-yl-1,5-dimethyl-2H-pyridine
CID 144831133
2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
CID 144831127
4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 146532214
1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)-2H-pyridine
CID 144815866
4-methyldibenzofuran;(Z)-pent-3-en-2-imine
CID 145299521
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
2-dibenzofuran-4-yl-2H-pyrrole
CID 71047554
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
1-dibenzofuran-4-ylethanone
CID 15691981
10-methyl-9-(3-methyldibenzofuran-4-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162295357
1-methyl-2-(7-methyldibenzofuran-4-yl)-2H-pyridine
CID 144831146

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine (CID 145051701) is 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine is CC1=CC(c2cccc3c2oc2ccccc23)N(/C=C(\C)C(C)C)C=C1.
What is the InChIKey of 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine?
The InChIKey is UMVPKKKQHZTTDZ-OBGWFSINSA-N. The full InChI is InChI=1S/C24H25NO/c1-16(2)18(4)15-25-13-12-17(3)14-22(25)21-10-7-9-20-19-8-5-6-11-23(19)26-24(20)21/h5-16,22H,1-4H3/b18-15+.
What are the key properties of 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine?
2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine has a molecular weight of 343.47 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine is sourced from PubChem (CID 145051701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).