3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one

C25H34N2O3 — CID 19594761

IUPAC3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)CCOc1ccc2c(c1)-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C25H34N2O3/c1-5-26(6-2)14-16-29-19-12-13-20-22(18-19)24-21(25(20)28)10-9-11-23(24)30-17-15-27(7-3)8-4/h9-13,18H,5-8,14-17H2,1-4H3
InChIKeyRRMWSCVGGZWQHL-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.34
Rot. Bonds12

About 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one

3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one (PubChem CID 19594761) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
PubChem CID19594761
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)CCOc1ccc2c(c1)-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C25H34N2O3/c1-5-26(6-2)14-16-29-19-12-13-20-22(18-19)24-21(25(20)28)10-9-11-23(24)30-17-15-27(7-3)8-4/h9-13,18H,5-8,14-17H2,1-4H3
InChIKeyRRMWSCVGGZWQHL-UHFFFAOYSA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The IUPAC name of 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one (CID 19594761) is 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one is CCN(CC)CCOc1ccc2c(c1)-c1c(OCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one?
The InChIKey is RRMWSCVGGZWQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-26(6-2)14-16-29-19-12-13-20-22(18-19)24-21(25(20)28)10-9-11-23(24)30-17-15-27(7-3)8-4/h9-13,18H,5-8,14-17H2,1-4H3.
What are the key properties of 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one?
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one has a molecular weight of 410.56 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 19594761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).