1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one

C29H42N2O4 — CID 19594830

IUPAC1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
SMILESCCOc1ccc(OCCCN(CC)CC)c2c1-c1c(OCCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C29H42N2O4/c1-6-30(7-2)18-12-20-34-23-15-11-14-22-26(23)27-24(33-10-5)16-17-25(28(27)29(22)32)35-21-13-19-31(8-3)9-4/h11,14-17H,6-10,12-13,18-21H2,1-5H3
InChIKeyFIGDKDGFVNWIAT-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.52
Rot. Bonds16

About 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one

1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one (PubChem CID 19594830) has the molecular formula C29H42N2O4 and a molecular weight of 482.67 g/mol. Its IUPAC name is 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one.

Molecular Properties

Compound Name1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
PubChem CID19594830
Molecular FormulaC29H42N2O4
Molecular Weight482.67 g/mol
Exact Mass482.31
IUPAC Name1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
SMILESCCOc1ccc(OCCCN(CC)CC)c2c1-c1c(OCCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C29H42N2O4/c1-6-30(7-2)18-12-20-34-23-15-11-14-22-26(23)27-24(33-10-5)16-17-25(28(27)29(22)32)35-21-13-19-31(8-3)9-4/h11,14-17H,6-10,12-13,18-21H2,1-5H3
InChIKeyFIGDKDGFVNWIAT-UHFFFAOYSA-N
XLogP5.52
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
CID 19594888
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594651
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
CID 19594819
5-[3-(diethylamino)propoxy]-2,4-diethoxy-9H-fluorene-9-carbaldehyde
CID 174369950
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one?
The IUPAC name of 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one (CID 19594830) is 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one.
What is the SMILES notation for 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one?
The canonical SMILES for 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one is CCOc1ccc(OCCCN(CC)CC)c2c1-c1c(OCCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one?
The InChIKey is FIGDKDGFVNWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O4/c1-6-30(7-2)18-12-20-34-23-15-11-14-22-26(23)27-24(33-10-5)16-17-25(28(27)29(22)32)35-21-13-19-31(8-3)9-4/h11,14-17H,6-10,12-13,18-21H2,1-5H3.
What are the key properties of 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one?
1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one has a molecular weight of 482.67 g/mol, XLogP of 5.52, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one is sourced from PubChem (CID 19594830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).