trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium

C23H34N2O2+2 — CID 11545195

IUPACtrimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
SMILESC[N+](C)(C)CCOc1ccc2c(c1)Cc1cc(OCC[N+](C)(C)C)ccc1-2
InChIInChI=1S/C23H34N2O2/c1-24(2,3)11-13-26-20-7-9-22-18(16-20)15-19-17-21(8-10-23(19)22)27-14-12-25(4,5)6/h7-10,16-17H,11-15H2,1-6H3/q+2
InChIKeyQLLLDOCALODQLR-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.43
Rot. Bonds8

About trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium

trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium (PubChem CID 11545195) has the molecular formula C23H34N2O2+2 and a molecular weight of 370.54 g/mol. Its IUPAC name is trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
PubChem CID11545195
Molecular FormulaC23H34N2O2+2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Nametrimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
SMILESC[N+](C)(C)CCOc1ccc2c(c1)Cc1cc(OCC[N+](C)(C)C)ccc1-2
InChIInChI=1S/C23H34N2O2/c1-24(2,3)11-13-26-20-7-9-22-18(16-20)15-19-17-21(8-10-23(19)22)27-14-12-25(4,5)6/h7-10,16-17H,11-15H2,1-6H3/q+2
InChIKeyQLLLDOCALODQLR-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
N-methyl-3-[[6-[3-(methylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 57439214
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
trimethyl-[3-[[5-oxido-3-[3-(trimethylazaniumyl)propoxy]-6H-phenanthridin-8-yl]oxy]propyl]azanium
CID 87438490
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
CID 57439338
2-(4-methoxyphenoxy)ethyl-trimethylazanium
CID 3026734
4-methyl-1-[2-[[7-[2-(4-methylpiperidin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperidine;dihydrochloride
CID 86567482
trimethyl-[2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(trimethylazaniumyl)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]azanium
CID 102271512
7-decoxy-9H-fluorene-2-carboxylic acid
CID 22153912
4-[2-(trimethylazaniumyl)ethoxy]benzenesulfonate
CID 11623048

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium (CID 11545195) is trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium is C[N+](C)(C)CCOc1ccc2c(c1)Cc1cc(OCC[N+](C)(C)C)ccc1-2.
What is the InChIKey of trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium?
The InChIKey is QLLLDOCALODQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-24(2,3)11-13-26-20-7-9-22-18(16-20)15-19-17-21(8-10-23(19)22)27-14-12-25(4,5)6/h7-10,16-17H,11-15H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium?
trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium has a molecular weight of 370.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium is sourced from PubChem (CID 11545195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).