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

C22H22N+ — CID 162171780

IUPAC1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
SMILESCc1cc(-c2ccc3c(c2C)Cc2ccccc2-3)[n+](C)cc1C
InChIInChI=1S/C22H22N/c1-14-11-22(23(4)13-15(14)2)18-9-10-20-19-8-6-5-7-17(19)12-21(20)16(18)3/h5-11,13H,12H2,1-4H3/q+1
InChIKeyBJJVFPVPMSKWCH-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.67
Rot. Bonds1

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

1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium (PubChem CID 162171780) has the molecular formula C22H22N+ and a molecular weight of 300.43 g/mol. Its IUPAC name is 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
PubChem CID162171780
Molecular FormulaC22H22N+
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
SMILESCc1cc(-c2ccc3c(c2C)Cc2ccccc2-3)[n+](C)cc1C
InChIInChI=1S/C22H22N/c1-14-11-22(23(4)13-15(14)2)18-9-10-20-19-8-6-5-7-17(19)12-21(20)16(18)3/h5-11,13H,12H2,1-4H3/q+1
InChIKeyBJJVFPVPMSKWCH-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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

9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
1,4,5-trimethyl-2-(2,4,5-trimethyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158506639
4-(4,4-dimethylcyclohexyl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 160606641
1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium
CID 157464896
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
4-(3,3-dimethylspiro[5.5]undecan-9-yl)-1,5-dimethyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium
CID 158870300
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1,4-dimethyl-2-(2-methyl-9H-fluoren-1-yl)-5-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 161398966
2-[6-(2,2-dimethylpropyl)-2-methyl-9H-fluoren-1-yl]-1,4,5-trimethylpyridin-1-ium
CID 158397325
1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium?
The IUPAC name of 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium (CID 162171780) is 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium.
What is the SMILES notation for 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium?
The canonical SMILES for 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium is Cc1cc(-c2ccc3c(c2C)Cc2ccccc2-3)[n+](C)cc1C.
What is the InChIKey of 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium?
The InChIKey is BJJVFPVPMSKWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N/c1-14-11-22(23(4)13-15(14)2)18-9-10-20-19-8-6-5-7-17(19)12-21(20)16(18)3/h5-11,13H,12H2,1-4H3/q+1.
What are the key properties of 1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium?
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium has a molecular weight of 300.43 g/mol, XLogP of 4.67, 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-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium is sourced from PubChem (CID 162171780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).