2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium

C26H21FNO+ — CID 153464671

IUPAC2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium
SMILESCc1ccc(-c2c(C)ccc3c2oc2c(-c4ccccc4)c(F)ccc23)[n+](C)c1
InChIInChI=1S/C26H21FNO/c1-16-9-14-22(28(3)15-16)23-17(2)10-11-19-20-12-13-21(27)24(26(20)29-25(19)23)18-7-5-4-6-8-18/h4-15H,1-3H3/q+1
InChIKeyBRRREHGDENAVEY-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.50
Rot. Bonds2

About 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium

2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium (PubChem CID 153464671) has the molecular formula C26H21FNO+ and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium
PubChem CID153464671
Molecular FormulaC26H21FNO+
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium
SMILESCc1ccc(-c2c(C)ccc3c2oc2c(-c4ccccc4)c(F)ccc23)[n+](C)c1
InChIInChI=1S/C26H21FNO/c1-16-9-14-22(28(3)15-16)23-17(2)10-11-19-20-12-13-21(27)24(26(20)29-25(19)23)18-7-5-4-6-8-18/h4-15H,1-3H3/q+1
InChIKeyBRRREHGDENAVEY-UHFFFAOYSA-N
XLogP6.50
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.50
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

2-[7-fluoro-3-methyl-6-[4-(2-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methyl-5-phenylpyridin-1-ium
CID 164849243
2-[7-fluoro-3-methyl-6-[4-(2-phenylpropan-2-yl)phenyl]dibenzofuran-4-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 166038074
6-[7-fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyrimidin-1-ium
CID 164849686
2-[7-fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 167357630
6-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-4-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 164850012
2-[6-(4-cyclohexylcyclohexyl)-7-fluoro-3-methyldibenzofuran-4-yl]-1,5-dimethylpyridin-1-ium
CID 166037572
2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1,4-dimethylpyridin-1-ium
CID 164849884
[5-fluoro-2-[7-fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium-4-yl]-trimethylsilane
CID 169282849
2-[7-fluoro-3-methyl-6-[4-(2-phenylpropan-2-yl)phenyl]dibenzofuran-4-yl]-1,4,5-trimethylpyridin-1-ium
CID 166038269
2,3,5-trideuterio-4-fluoro-6-[7-fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 169282686
2-[7-fluoro-3-methyl-6-[3-methyl-4-(4-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357440
[4-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]phenyl]-methyl-phenylborane
CID 166038418

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium?
The IUPAC name of 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium (CID 153464671) is 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium?
The canonical SMILES for 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium is Cc1ccc(-c2c(C)ccc3c2oc2c(-c4ccccc4)c(F)ccc23)[n+](C)c1.
What is the InChIKey of 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium?
The InChIKey is BRRREHGDENAVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FNO/c1-16-9-14-22(28(3)15-16)23-17(2)10-11-19-20-12-13-21(27)24(26(20)29-25(19)23)18-7-5-4-6-8-18/h4-15H,1-3H3/q+1.
What are the key properties of 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium?
2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium has a molecular weight of 382.46 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-methyl-6-phenyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium is sourced from PubChem (CID 153464671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).