1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium

C22H22N+ — CID 59306168

IUPAC1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C22H22N/c1-15-13-18-16-9-5-6-10-19(16)22(2,3)20(18)14-17(15)21-11-7-8-12-23(21)4/h5-14H,1-4H3/q+1
InChIKeyOTMUPURLJNHVBH-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.79
Rot. Bonds1

About 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium

1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium (PubChem CID 59306168) has the molecular formula C22H22N+ and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
PubChem CID59306168
Molecular FormulaC22H22N+
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C22H22N/c1-15-13-18-16-9-5-6-10-19(16)22(2,3)20(18)14-17(15)21-11-7-8-12-23(21)4/h5-14H,1-4H3/q+1
InChIKeyOTMUPURLJNHVBH-UHFFFAOYSA-N
XLogP4.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.79
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

1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
3-deuterio-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium;1,2-dimethyl-6-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium;3,4,5-trideuterio-1,2-dimethyl-6-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 161226783
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
3,4,5-trideuterio-1,2-dimethyl-6-(2,9,9-trimethylfluoren-3-yl)pyridin-1-ium
CID 157161561
6,9,9-trimethyl-7-(1-methyl-4-phenylpyridin-1-ium-2-yl)indeno[2,1-b]pyridine
CID 123974554
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium (CID 59306168) is 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium?
The InChIKey is OTMUPURLJNHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N/c1-15-13-18-16-9-5-6-10-19(16)22(2,3)20(18)14-17(15)21-11-7-8-12-23(21)4/h5-14H,1-4H3/q+1.
What are the key properties of 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium?
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium has a molecular weight of 300.43 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium is sourced from PubChem (CID 59306168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).