2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium

C21H20N+ — CID 158693695

IUPAC2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2c(c1)Cc1ccc(-c3cccc[n+]3C)c(C)c1-2
InChIInChI=1S/C21H20N/c1-14-7-9-19-17(12-14)13-16-8-10-18(15(2)21(16)19)20-6-4-5-11-22(20)3/h4-12H,13H2,1-3H3/q+1
InChIKeyHGQNVBWGRAWAPZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.37
Rot. Bonds1

About 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium

2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium (PubChem CID 158693695) has the molecular formula C21H20N+ and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
PubChem CID158693695
Molecular FormulaC21H20N+
Molecular Weight286.40 g/mol
Exact Mass286.16
IUPAC Name2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
SMILESCc1ccc2c(c1)Cc1ccc(-c3cccc[n+]3C)c(C)c1-2
InChIInChI=1S/C21H20N/c1-14-7-9-19-17(12-14)13-16-8-10-18(15(2)21(16)19)20-6-4-5-11-22(20)3/h4-12H,13H2,1-3H3/q+1
InChIKeyHGQNVBWGRAWAPZ-UHFFFAOYSA-N
XLogP4.37
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-9H-indeno[2,1-b]pyridine
CID 159754934
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
CID 159416367
ethane;methane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methyl-9H-fluoren-3-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-9H-fluoren-4-yl)pyridin-1-ium
CID 159448244
2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 158240011
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
4-tert-butyl-2-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium;chloromethane;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157248189
2-(2,4-dimethylphenyl)-1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 140944473
2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;1-methyl-2-[2-methyl-3-(trideuteriomethyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 161493951
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium
CID 149202475

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium (CID 158693695) is 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium is Cc1ccc2c(c1)Cc1ccc(-c3cccc[n+]3C)c(C)c1-2.
What is the InChIKey of 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium?
The InChIKey is HGQNVBWGRAWAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N/c1-14-7-9-19-17(12-14)13-16-8-10-18(15(2)21(16)19)20-6-4-5-11-22(20)3/h4-12H,13H2,1-3H3/q+1.
What are the key properties of 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium?
2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium has a molecular weight of 286.40 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 158693695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).