1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium

C24H26N+ — CID 158506639

IUPAC1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
SMILESCc1cc(-c2c(C)cc(C)c3c2Cc2cccc(C)c2-3)[n+](C)cc1C
InChIInChI=1S/C24H26N/c1-14-8-7-9-19-12-20-23(16(3)10-17(4)24(20)22(14)19)21-11-15(2)18(5)13-25(21)6/h7-11,13H,12H2,1-6H3/q+1
InChIKeyZJYQUYOOJNLUKC-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.29
Rot. Bonds1

About 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium

1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium (PubChem CID 158506639) has the molecular formula C24H26N+ and a molecular weight of 328.48 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
PubChem CID158506639
Molecular FormulaC24H26N+
Molecular Weight328.48 g/mol
Exact Mass328.21
IUPAC Name1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
SMILESCc1cc(-c2c(C)cc(C)c3c2Cc2cccc(C)c2-3)[n+](C)cc1C
InChIInChI=1S/C24H26N/c1-14-8-7-9-19-12-20-23(16(3)10-17(4)24(20)22(14)19)21-11-15(2)18(5)13-25(21)6/h7-11,13H,12H2,1-6H3/q+1
InChIKeyZJYQUYOOJNLUKC-UHFFFAOYSA-N
XLogP5.29
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.29
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-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 158316417
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
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
CID 162171780
1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
2-[6-(2,2-dimethylpropyl)-2-methyl-9H-fluoren-1-yl]-1,4,5-trimethylpyridin-1-ium
CID 158397325
5-(2,5-dimethyl-9H-fluoren-1-yl)-4-methyl-4-azoniatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 160507770
4,5-dimethyl-9H-fluorene
CID 14389533
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
1,4-dimethyl-2-(2-methyl-9H-fluoren-1-yl)-5-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 161398966
2-(2,8-dimethyl-9H-fluoren-1-yl)-1-methyl-4,5-di(propan-2-yl)pyridin-1-ium
CID 158111506
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
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
The IUPAC name of 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium (CID 158506639) is 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium.
What is the SMILES notation for 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
The canonical SMILES for 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium is Cc1cc(-c2c(C)cc(C)c3c2Cc2cccc(C)c2-3)[n+](C)cc1C.
What is the InChIKey of 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
The InChIKey is ZJYQUYOOJNLUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N/c1-14-8-7-9-19-12-20-23(16(3)10-17(4)24(20)22(14)19)21-11-15(2)18(5)13-25(21)6/h7-11,13H,12H2,1-6H3/q+1.
What are the key properties of 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium?
1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium has a molecular weight of 328.48 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 158506639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).