1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium

C23H24N+ — CID 159863789

IUPAC1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
SMILESCc1cccc2c1-c1ccc(C)c(-c3cccc[n+]3C)c1C2(C)C
InChIInChI=1S/C23H24N/c1-15-9-8-10-18-20(15)17-13-12-16(2)21(22(17)23(18,3)4)19-11-6-7-14-24(19)5/h6-14H,1-5H3/q+1
InChIKeyCEGRPLWNDNTLBZ-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.10
Rot. Bonds1

About 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium

1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium (PubChem CID 159863789) has the molecular formula C23H24N+ and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
PubChem CID159863789
Molecular FormulaC23H24N+
Molecular Weight314.45 g/mol
Exact Mass314.19
IUPAC Name1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
SMILESCc1cccc2c1-c1ccc(C)c(-c3cccc[n+]3C)c1C2(C)C
InChIInChI=1S/C23H24N/c1-15-9-8-10-18-20(15)17-13-12-16(2)21(22(17)23(18,3)4)19-11-6-7-14-24(19)5/h6-14H,1-5H3/q+1
InChIKeyCEGRPLWNDNTLBZ-UHFFFAOYSA-N
XLogP5.10
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.10
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

5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
2-(8-isocyano-2,9,9-trimethylfluoren-1-yl)-1-methylpyridin-1-ium
CID 154615538
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093
7,9,9-trimethyl-8-(1-methylpyridin-1-ium-2-yl)-1-phenylfluorene-2-carbonitrile
CID 167365822
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
1,5-dimethyl-2-(3,6,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,7,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;1,5-dimethyl-2-(3,8,9,9-tetramethylfluoren-4-yl)pyridin-1-ium;2-[3,9-dimethyl-9-(trideuteriomethyl)fluoren-4-yl]-1-methylpyridin-1-ium
CID 160561068
2-[7-(2-deuteriopropan-2-yl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium
CID 157123369
1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
1-methyl-2-(6,14,14-trimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)pyridin-1-ium
CID 155648798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium (CID 159863789) is 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium is Cc1cccc2c1-c1ccc(C)c(-c3cccc[n+]3C)c1C2(C)C.
What is the InChIKey of 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium?
The InChIKey is CEGRPLWNDNTLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N/c1-15-9-8-10-18-20(15)17-13-12-16(2)21(22(17)23(18,3)4)19-11-6-7-14-24(19)5/h6-14H,1-5H3/q+1.
What are the key properties of 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium?
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium has a molecular weight of 314.45 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 159863789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).