trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium

C25H36N2O3+2 — CID 57439338

IUPACtrimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
SMILESC[N+](C)(C)CCCOc1ccc2c(c1)C(=O)c1ccc(OCCC[N+](C)(C)C)cc1-2
InChIInChI=1S/C25H36N2O3/c1-26(2,3)13-7-15-29-19-10-12-22-23(17-19)21-11-9-20(18-24(21)25(22)28)30-16-8-14-27(4,5)6/h9-12,17-18H,7-8,13-16H2,1-6H3/q+2
InChIKeyNHJRFKRHUBTGOH-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.85
Rot. Bonds10

About trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium

trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium (PubChem CID 57439338) has the molecular formula C25H36N2O3+2 and a molecular weight of 412.57 g/mol. Its IUPAC name is trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
PubChem CID57439338
Molecular FormulaC25H36N2O3+2
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Nametrimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
SMILESC[N+](C)(C)CCCOc1ccc2c(c1)C(=O)c1ccc(OCCC[N+](C)(C)C)cc1-2
InChIInChI=1S/C25H36N2O3/c1-26(2,3)13-7-15-29-19-10-12-22-23(17-19)21-11-9-20(18-24(21)25(22)28)30-16-8-14-27(4,5)6/h9-12,17-18H,7-8,13-16H2,1-6H3/q+2
InChIKeyNHJRFKRHUBTGOH-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[7-[4-[diethyl(methyl)azaniumyl]butoxy]-9-oxofluoren-2-yl]oxybutyl-diethyl-methylazanium iodide
CID 16681825
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
3,6-bis(3-aminopropoxy)fluoren-9-one
CID 57439340
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
CID 11545195
2-octadecoxytetracene-5,12-dione
CID 19812763
2-[9,10-dioxo-6-(2-sulfoethoxy)anthracen-2-yl]oxyethanesulfonic acid
CID 142419389
2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
CID 139146275
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
(2-amino-2-oxoethyl)-[2-[7-[2-[(2-amino-2-oxoethyl)-diethylazaniumyl]ethoxy]-9-oxofluoren-2-yl]oxyethyl]-diethylazanium
CID 4922026
trimethyl-[3-[[5-oxido-3-[3-(trimethylazaniumyl)propoxy]-6H-phenanthridin-8-yl]oxy]propyl]azanium
CID 87438490

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium?
The IUPAC name of trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium (CID 57439338) is trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium.
What is the SMILES notation for trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium?
The canonical SMILES for trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium is C[N+](C)(C)CCCOc1ccc2c(c1)C(=O)c1ccc(OCCC[N+](C)(C)C)cc1-2.
What is the InChIKey of trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium?
The InChIKey is NHJRFKRHUBTGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-26(2,3)13-7-15-29-19-10-12-22-23(17-19)21-11-9-20(18-24(21)25(22)28)30-16-8-14-27(4,5)6/h9-12,17-18H,7-8,13-16H2,1-6H3/q+2.
What are the key properties of trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium?
trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium has a molecular weight of 412.57 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium is sourced from PubChem (CID 57439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).