2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one

C25H34N2O3 — CID 19594884

IUPAC2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)C(C)Oc1ccc2c(c1)C(=O)c1cccc(OC(C)N(CC)CC)c1-2
InChIInChI=1S/C25H34N2O3/c1-7-26(8-2)17(5)29-19-14-15-20-22(16-19)25(28)21-12-11-13-23(24(20)21)30-18(6)27(9-3)10-4/h11-18H,7-10H2,1-6H3
InChIKeyWZHFHVKSCYUYEV-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.03
Rot. Bonds10

About 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one

2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one (PubChem CID 19594884) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one.

Molecular Properties

Compound Name2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one
PubChem CID19594884
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one
SMILESCCN(CC)C(C)Oc1ccc2c(c1)C(=O)c1cccc(OC(C)N(CC)CC)c1-2
InChIInChI=1S/C25H34N2O3/c1-7-26(8-2)17(5)29-19-14-15-20-22(16-19)25(28)21-12-11-13-23(24(20)21)30-18(6)27(9-3)10-4/h11-18H,7-10H2,1-6H3
InChIKeyWZHFHVKSCYUYEV-UHFFFAOYSA-N
XLogP5.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one?
The IUPAC name of 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one (CID 19594884) is 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one.
What is the SMILES notation for 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one?
The canonical SMILES for 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one is CCN(CC)C(C)Oc1ccc2c(c1)C(=O)c1cccc(OC(C)N(CC)CC)c1-2.
What is the InChIKey of 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one?
The InChIKey is WZHFHVKSCYUYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-7-26(8-2)17(5)29-19-14-15-20-22(16-19)25(28)21-12-11-13-23(24(20)21)30-18(6)27(9-3)10-4/h11-18H,7-10H2,1-6H3.
What are the key properties of 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one?
2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one has a molecular weight of 410.56 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[1-(diethylamino)ethoxy]fluoren-9-one is sourced from PubChem (CID 19594884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).