2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium

C108H108N4+4 — CID 160962993

IUPAC2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
SMILESCc1cc(-c2c(C)ccc3c2Cc2c(C)cccc2-3)[n+](C)cc1-c1ccccc1.Cc1ccc2c(c1)-c1c(C)cc(C)c(-c3cc(C)c(C)c[n+]3C)c1C2.Cc1ccc2c(c1-c1cc(CC(C)(C)C)c(-c3ccccc3)c[n+]1C)Cc1ccccc1-2.Cc1ccc2c(c1-c1cc3c(c[n+]1C)CC1CC3C1)Cc1ccccc1-2
InChIInChI=1S/C31H32N.C28H26N.C25H24N.C24H26N/c1-21-15-16-26-25-14-10-9-13-23(25)17-27(26)30(21)29-18-24(19-31(2,3)4)28(20-32(29)5)22-11-7-6-8-12-22;1-18-9-8-12-22-23-14-13-19(2)28(25(23)16-24(18)22)27-15-20(3)26(17-29(27)4)21-10-6-5-7-11-21;1-15-7-8-21-20-6-4-3-5-17(20)12-23(21)25(15)24-13-22-18-9-16(10-18)11-19(22)14-26(24)2;1-14-7-8-19-12-21-23(20(19)9-14)16(3)10-17(4)24(21)22-11-15(2)18(5)13-25(22)6/h6-16,18,20H,17,19H2,1-5H3;5-15,17H,16H2,1-4H3;3-8,13-14,16,18H,9-12H2,1-2H3;7-11,13H,12H2,1-6H3/q4*+1
InChIKeyOFJYXNURSXYQNE-UHFFFAOYSA-N
MW1462.08 g/mol
LogP24.05
Rot. Bonds7

About 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium

2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium (PubChem CID 160962993) has the molecular formula C108H108N4+4 and a molecular weight of 1462.08 g/mol. Its IUPAC name is 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
PubChem CID160962993
Molecular FormulaC108H108N4+4
Molecular Weight1462.08 g/mol
Exact Mass1460.86
IUPAC Name2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
SMILESCc1cc(-c2c(C)ccc3c2Cc2c(C)cccc2-3)[n+](C)cc1-c1ccccc1.Cc1ccc2c(c1)-c1c(C)cc(C)c(-c3cc(C)c(C)c[n+]3C)c1C2.Cc1ccc2c(c1-c1cc(CC(C)(C)C)c(-c3ccccc3)c[n+]1C)Cc1ccccc1-2.Cc1ccc2c(c1-c1cc3c(c[n+]1C)CC1CC3C1)Cc1ccccc1-2
InChIInChI=1S/C31H32N.C28H26N.C25H24N.C24H26N/c1-21-15-16-26-25-14-10-9-13-23(25)17-27(26)30(21)29-18-24(19-31(2,3)4)28(20-32(29)5)22-11-7-6-8-12-22;1-18-9-8-12-22-23-14-13-19(2)28(25(23)16-24(18)22)27-15-20(3)26(17-29(27)4)21-10-6-5-7-11-21;1-15-7-8-21-20-6-4-3-5-17(20)12-23(21)25(15)24-13-22-18-9-16(10-18)11-19(22)14-26(24)2;1-14-7-8-19-12-21-23(20(19)9-14)16(3)10-17(4)24(21)22-11-15(2)18(5)13-25(22)6/h6-16,18,20H,17,19H2,1-5H3;5-15,17H,16H2,1-4H3;3-8,13-14,16,18H,9-12H2,1-2H3;7-11,13H,12H2,1-6H3/q4*+1
InChIKeyOFJYXNURSXYQNE-UHFFFAOYSA-N
XLogP24.05
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001462.08
LogP ≤ 524.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium with MolForge

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Related Compounds

4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
2-[6-(2,2-dimethylpropyl)-2-methyl-9H-fluoren-1-yl]-1,4,5-trimethylpyridin-1-ium
CID 158397325
4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,5-dimethylpyridin-1-ium;4-[4-(4,4-dimethylcyclohexyl)-2-methylphenyl]-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;2-(2,4-dimethyl-9H-fluoren-1-yl)-4-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium;4-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 162246194
1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158506639
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300
5-(4,4-dimethylcyclohexyl)-2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 159298690
2-(4-cyclohexyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(5-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(6-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium;2-(7-cyclopentyl-2-methyl-9H-fluoren-1-yl)-1,4,5-trimethylpyridin-1-ium
CID 159841272
1,4-dimethyl-2-(2-methyl-9H-fluoren-1-yl)-5-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 161398966
2-(2,6-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 158886886
5-(2,5-dimethyl-9H-fluoren-1-yl)-4-methyl-4-azoniatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 160507770
5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 158316417
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
CID 162171780

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
The IUPAC name of 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium (CID 160962993) is 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium.
What is the SMILES notation for 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
The canonical SMILES for 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium is Cc1cc(-c2c(C)ccc3c2Cc2c(C)cccc2-3)[n+](C)cc1-c1ccccc1.Cc1ccc2c(c1)-c1c(C)cc(C)c(-c3cc(C)c(C)c[n+]3C)c1C2.Cc1ccc2c(c1-c1cc(CC(C)(C)C)c(-c3ccccc3)c[n+]1C)Cc1ccccc1-2.Cc1ccc2c(c1-c1cc3c(c[n+]1C)CC1CC3C1)Cc1ccccc1-2.
What is the InChIKey of 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
The InChIKey is OFJYXNURSXYQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N.C28H26N.C25H24N.C24H26N/c1-21-15-16-26-25-14-10-9-13-23(25)17-27(26)30(21)29-18-24(19-31(2,3)4)28(20-32(29)5)22-11-7-6-8-12-22;1-18-9-8-12-22-23-14-13-19(2)28(25(23)16-24(18)22)27-15-20(3)26(17-29(27)4)21-10-6-5-7-11-21;1-15-7-8-21-20-6-4-3-5-17(20)12-23(21)25(15)24-13-22-18-9-16(10-18)11-19(22)14-26(24)2;1-14-7-8-19-12-21-23(20(19)9-14)16(3)10-17(4)24(21)22-11-15(2)18(5)13-25(22)6/h6-16,18,20H,17,19H2,1-5H3;5-15,17H,16H2,1-4H3;3-8,13-14,16,18H,9-12H2,1-2H3;7-11,13H,12H2,1-6H3/q4*+1.
What are the key properties of 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium has a molecular weight of 1462.08 g/mol, XLogP of 24.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethyl-9H-fluoren-1-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-(2-methyl-9H-fluoren-1-yl)-5-phenylpyridin-1-ium;5-methyl-4-(2-methyl-9H-fluoren-1-yl)-5-azoniatricyclo[7.1.1.02,7]undeca-2,4,6-triene;1,4,5-trimethyl-2-(2,4,6-trimethyl-9H-fluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 160962993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).