3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium

C116H119F3N5+5 — CID 159345876

IUPAC3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1c(F)ccc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1cc(C(C)C)cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1cc(F)cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1ccc(C(C)C)c[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1ccc(F)c[n+]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/2C25H28N.3C22H21FN/c1-16(2)18-12-14-22(26(6)15-18)23-17(3)11-13-20-19-9-7-8-10-21(19)25(4,5)24(20)23;1-16(2)18-13-14-26(6)22(15-18)23-17(3)11-12-20-19-9-7-8-10-21(19)25(4,5)24(20)23;1-14-11-12-16-15-8-5-6-9-17(15)22(2,3)20(16)19(14)21-18(23)10-7-13-24(21)4;1-14-9-11-17-16-7-5-6-8-18(16)22(2,3)21(17)20(14)19-12-10-15(23)13-24(19)4;1-14-9-10-17-16-7-5-6-8-18(16)22(2,3)21(17)20(14)19-13-15(23)11-12-24(19)4/h2*7-16H,1-6H3;3*5-13H,1-4H3/q5*+1
InChIKeyXBFQGMWAJLKMEP-UHFFFAOYSA-N
MW1640.26 g/mol
LogP26.63
Rot. Bonds7

About 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium

3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium (PubChem CID 159345876) has the molecular formula C116H119F3N5+5 and a molecular weight of 1640.26 g/mol. Its IUPAC name is 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
PubChem CID159345876
Molecular FormulaC116H119F3N5+5
Molecular Weight1640.26 g/mol
Exact Mass1638.94
IUPAC Name3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1c(F)ccc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1cc(C(C)C)cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1cc(F)cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1ccc(C(C)C)c[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1ccc(F)c[n+]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/2C25H28N.3C22H21FN/c1-16(2)18-12-14-22(26(6)15-18)23-17(3)11-13-20-19-9-7-8-10-21(19)25(4,5)24(20)23;1-16(2)18-13-14-26(6)22(15-18)23-17(3)11-12-20-19-9-7-8-10-21(19)25(4,5)24(20)23;1-14-11-12-16-15-8-5-6-9-17(15)22(2,3)20(16)19(14)21-18(23)10-7-13-24(21)4;1-14-9-11-17-16-7-5-6-8-18(16)22(2,3)21(17)20(14)19-12-10-15(23)13-24(19)4;1-14-9-10-17-16-7-5-6-8-18(16)22(2,3)21(17)20(14)19-13-15(23)11-12-24(19)4/h2*7-16H,1-6H3;3*5-13H,1-4H3/q5*+1
InChIKeyXBFQGMWAJLKMEP-UHFFFAOYSA-N
XLogP26.63
TPSA19.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001640.26
LogP ≤ 526.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium with MolForge

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Related Compounds

1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 158916879
5-(2-deuteriopropan-2-yl)-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-ethyl-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-ethyl-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 158916874
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
1-methyl-4-propan-2-yl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium
CID 155648800
1,6,9-trimethyl-6-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140907972
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
5,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)-5-(trideuteriomethyl)indeno[1,2-b]pyridine;6-(1,5-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;6-(1,6-dimethylpyridin-1-ium-2-yl)-5,5,7-trimethylindeno[1,2-b]pyridine;7'-methyl-8'-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]spiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];5,5,7-trimethyl-6-(1-methylpyridin-1-ium-2-yl)indeno[1,2-b]pyridine
CID 158541667
4-(9,9-dimethylfluoren-2-yl)-6-(4-fluoro-1-methylpyridin-1-ium-2-yl)-7-methyldibenzofuran-3-carbonitrile
CID 169282878
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
8-[3-(3-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(3-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[5-(2-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 159247511
4-(2-deuteriopropan-2-yl)-2-[3,11-dimethyl-11-(trideuteriomethyl)fluoreno[3,2-b][1]benzofuran-4-yl]-1-methylpyridin-1-ium
CID 159837594

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
The IUPAC name of 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium (CID 159345876) is 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium.
What is the SMILES notation for 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
The canonical SMILES for 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium is Cc1ccc2c(c1-c1c(F)ccc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1cc(C(C)C)cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1cc(F)cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1ccc(C(C)C)c[n+]1C)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1-c1ccc(F)c[n+]1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
The InChIKey is XBFQGMWAJLKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H28N.3C22H21FN/c1-16(2)18-12-14-22(26(6)15-18)23-17(3)11-13-20-19-9-7-8-10-21(19)25(4,5)24(20)23;1-16(2)18-13-14-26(6)22(15-18)23-17(3)11-12-20-19-9-7-8-10-21(19)25(4,5)24(20)23;1-14-11-12-16-15-8-5-6-9-17(15)22(2,3)20(16)19(14)21-18(23)10-7-13-24(21)4;1-14-9-11-17-16-7-5-6-8-18(16)22(2,3)21(17)20(14)19-12-10-15(23)13-24(19)4;1-14-9-10-17-16-7-5-6-8-18(16)22(2,3)21(17)20(14)19-13-15(23)11-12-24(19)4/h2*7-16H,1-6H3;3*5-13H,1-4H3/q5*+1.
What are the key properties of 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?
3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium has a molecular weight of 1640.26 g/mol, XLogP of 26.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;4-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;5-fluoro-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-4-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium;1-methyl-5-propan-2-yl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 159345876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).