2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium

C25H20NO+ — CID 171746810

IUPAC2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
SMILESCc1cc(-c2cccc3oc4ccccc4c23)ccc1-c1cccc[n+]1C
InChIInChI=1S/C25H20NO/c1-17-16-18(13-14-19(17)22-10-5-6-15-26(22)2)20-9-7-12-24-25(20)21-8-3-4-11-23(21)27-24/h3-16H,1-2H3/q+1
InChIKeyFNRNFQHKLXOOMU-UHFFFAOYSA-N
MW350.44 g/mol
LogP6.05
Rot. Bonds2

About 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium

2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium (PubChem CID 171746810) has the molecular formula C25H20NO+ and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
PubChem CID171746810
Molecular FormulaC25H20NO+
Molecular Weight350.44 g/mol
Exact Mass350.15
IUPAC Name2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium
SMILESCc1cc(-c2cccc3oc4ccccc4c23)ccc1-c1cccc[n+]1C
InChIInChI=1S/C25H20NO/c1-17-16-18(13-14-19(17)22-10-5-6-15-26(22)2)20-9-7-12-24-25(20)21-8-3-4-11-23(21)27-24/h3-16H,1-2H3/q+1
InChIKeyFNRNFQHKLXOOMU-UHFFFAOYSA-N
XLogP6.05
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(2-methyl-[1]benzofuro[2,3-b][1]benzofuran-3-yl)pyridin-1-ium
CID 140827979
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 154615290
1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
CID 166923235
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
1-methyl-2-[2-methyl-5-(4H-phenalen-1-yl)phenyl]pyridin-1-ium
CID 153428672
3-dibenzofuran-1-yl-9-methylcarbazole
CID 137388254
2-[7-fluoro-3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167365582
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
1-methyl-2-[7-methyl-5-(trideuteriomethyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl]pyridin-1-ium
CID 153418131

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium (CID 171746810) is 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium is Cc1cc(-c2cccc3oc4ccccc4c23)ccc1-c1cccc[n+]1C.
What is the InChIKey of 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium?
The InChIKey is FNRNFQHKLXOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20NO/c1-17-16-18(13-14-19(17)22-10-5-6-15-26(22)2)20-9-7-12-24-25(20)21-8-3-4-11-23(21)27-24/h3-16H,1-2H3/q+1.
What are the key properties of 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium?
2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium has a molecular weight of 350.44 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-yl-2-methylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 171746810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).