2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium

C25H19FNO+ — CID 161416380

IUPAC2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2oc3cc(F)c(-c4ccccc4)cc3c2c1-c1cccc[n+]1C
InChIInChI=1S/C25H19FNO/c1-16-11-12-22-25(24(16)21-10-6-7-13-27(21)2)19-14-18(17-8-4-3-5-9-17)20(26)15-23(19)28-22/h3-15H,1-2H3/q+1
InChIKeyRZLHJZNQNQQYJS-UHFFFAOYSA-N
MW368.43 g/mol
LogP6.19
Rot. Bonds2

About 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium

2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium (PubChem CID 161416380) has the molecular formula C25H19FNO+ and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium
PubChem CID161416380
Molecular FormulaC25H19FNO+
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2oc3cc(F)c(-c4ccccc4)cc3c2c1-c1cccc[n+]1C
InChIInChI=1S/C25H19FNO/c1-16-11-12-22-25(24(16)21-10-6-7-13-27(21)2)19-14-18(17-8-4-3-5-9-17)20(26)15-23(19)28-22/h3-15H,1-2H3/q+1
InChIKeyRZLHJZNQNQQYJS-UHFFFAOYSA-N
XLogP6.19
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 56.19
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-(8-isocyano-2-methyl-7-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium
CID 161011662
2-[7-fluoro-3-methyl-8-(2-methyl-4-phenylphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849679
2,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170251019
2-(7-isocyano-2-methyl-9-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium
CID 160831450
2-(6-dibenzofuran-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849736
2-[8-(2,2-dimethyl-1,3-dihydroinden-5-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357350
2-[6-(2,2-dimethyl-1,3-dihydroinden-5-yl)-7-fluoro-2-methyldibenzofuran-1-yl]-1-methylpyridin-1-ium
CID 167357344
2-[7-fluoro-3-methyl-6-[3-methyl-4-(4-methylphenyl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357440
2-(9-fluoro-8-isocyano-2-methyldibenzofuran-1-yl)-1-methylpyridin-1-ium
CID 154615774
2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
2-[7-fluoro-3-methyl-6-(3-phenoxyphenyl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037673
2,8-dimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 158917174

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium (CID 161416380) is 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium is Cc1ccc2oc3cc(F)c(-c4ccccc4)cc3c2c1-c1cccc[n+]1C.
What is the InChIKey of 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium?
The InChIKey is RZLHJZNQNQQYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FNO/c1-16-11-12-22-25(24(16)21-10-6-7-13-27(21)2)19-14-18(17-8-4-3-5-9-17)20(26)15-23(19)28-22/h3-15H,1-2H3/q+1.
What are the key properties of 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium?
2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium has a molecular weight of 368.43 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-8-phenyldibenzofuran-1-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 161416380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).