1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium

C26H24N+ — CID 164787286

IUPAC1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
SMILESCc1ccc2c(c1-c1ccc3ccccc3[n+]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C26H24N/c1-17-13-15-20-19-10-6-7-11-21(19)26(2,3)25(20)24(17)23-16-14-18-9-5-8-12-22(18)27(23)4/h5-16H,1-4H3/q+1
InChIKeyRQZIJLFMZJKVEB-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.95
Rot. Bonds1

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

1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium (PubChem CID 164787286) has the molecular formula C26H24N+ and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
PubChem CID164787286
Molecular FormulaC26H24N+
Molecular Weight350.49 g/mol
Exact Mass350.19
IUPAC Name1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium
SMILESCc1ccc2c(c1-c1ccc3ccccc3[n+]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C26H24N/c1-17-13-15-20-19-10-6-7-11-21(19)26(2,3)25(20)24(17)23-16-14-18-9-5-8-12-22(18)27(23)4/h5-16H,1-4H3/q+1
InChIKeyRQZIJLFMZJKVEB-UHFFFAOYSA-N
XLogP5.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
5-deuterio-1-methyl-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 161312540
2,9,9-trimethylfluoren-1-amine
CID 142604621
7,9,9-trimethyl-8-[1-methyl-7-(2-methylpropyl)quinolin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 123868813
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
CID 158916879
1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium
CID 140899468
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
8-(1,6-dimethylpyridin-1-ium-2-yl)-7,9,9-trimethylindeno[2,1-b]pyridine
CID 123506806
3-methyl-2-(2,9,9-trimethylfluoren-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-3-ium
CID 177124559
2-anthracen-9-yl-1-methylquinolin-1-ium
CID 141313920
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium?
The IUPAC name of 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium (CID 164787286) is 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium.
What is the SMILES notation for 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium?
The canonical SMILES for 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium is Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium?
The InChIKey is RQZIJLFMZJKVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N/c1-17-13-15-20-19-10-6-7-11-21(19)26(2,3)25(20)24(17)23-16-14-18-9-5-8-12-22(18)27(23)4/h5-16H,1-4H3/q+1.
What are the key properties of 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium?
1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium has a molecular weight of 350.49 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,9,9-trimethylfluoren-1-yl)quinolin-1-ium is sourced from PubChem (CID 164787286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).