2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride

C25H36Cl2N2O3 — CID 139146275

IUPAC2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
SMILESCC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](CC)CC)ccc1-2.[Cl-].[Cl-]
InChIInChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H
InChIKeyBSVYJQAWONIOOU-UHFFFAOYSA-N
MW483.48 g/mol
LogP-4.49
Rot. Bonds12

About 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride

2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride (PubChem CID 139146275) has the molecular formula C25H36Cl2N2O3 and a molecular weight of 483.48 g/mol. Its IUPAC name is 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride.

Molecular Properties

Compound Name2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
PubChem CID139146275
Molecular FormulaC25H36Cl2N2O3
Molecular Weight483.48 g/mol
Exact Mass482.21
IUPAC Name2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride
SMILESCC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](CC)CC)ccc1-2.[Cl-].[Cl-]
InChIInChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H
InChIKeyBSVYJQAWONIOOU-UHFFFAOYSA-N
XLogP-4.49
TPSA44.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 5-4.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
CID 24382
2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium
CID 6940496
trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
CID 57439338
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
4-[7-[4-[diethyl(methyl)azaniumyl]butoxy]-9-oxofluoren-2-yl]oxybutyl-diethyl-methylazanium iodide
CID 16681825
2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
CID 6420971
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
2-octadecoxytetracene-5,12-dione
CID 19812763
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
2-[9,10-dioxo-6-(2-sulfoethoxy)anthracen-2-yl]oxyethanesulfonic acid
CID 142419389

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride?
The IUPAC name of 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride (CID 139146275) is 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride.
What is the SMILES notation for 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride?
The canonical SMILES for 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride is CC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](CC)CC)ccc1-2.[Cl-].[Cl-].
What is the InChIKey of 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride?
The InChIKey is BSVYJQAWONIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H.
What are the key properties of 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride?
2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride has a molecular weight of 483.48 g/mol, XLogP of -4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(diethylazaniumyl)ethoxy]-9-oxofluoren-2-yl]oxyethyl-diethylazanium dichloride is sourced from PubChem (CID 139146275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).