1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one

C28H40N2O4 — CID 19594796

IUPAC1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
SMILESCCCOc1ccc(OCCN(CC)CC)c2c1-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C28H40N2O4/c1-6-18-32-23-14-15-24(34-20-17-30(9-4)10-5)27-26(23)25-21(28(27)31)12-11-13-22(25)33-19-16-29(7-2)8-3/h11-15H,6-10,16-20H2,1-5H3
InChIKeyDCNLGIVXNPZVDD-UHFFFAOYSA-N
MW468.64 g/mol
LogP5.13
Rot. Bonds15

About 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one

1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one (PubChem CID 19594796) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one.

Molecular Properties

Compound Name1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
PubChem CID19594796
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
SMILESCCCOc1ccc(OCCN(CC)CC)c2c1-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C28H40N2O4/c1-6-18-32-23-14-15-24(34-20-17-30(9-4)10-5)27-26(23)25-21(28(27)31)12-11-13-22(25)33-19-16-29(7-2)8-3/h11-15H,6-10,16-20H2,1-5H3
InChIKeyDCNLGIVXNPZVDD-UHFFFAOYSA-N
XLogP5.13
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594651
1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
CID 19594830
5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
CID 19594819
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
CID 19594888
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
1,5-bis(1-piperidin-2-ylethoxy)-4-propoxyfluoren-9-one
CID 19594763
1-propoxy-10H-anthracen-9-one
CID 70009381
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
2-hydroxy-4-propoxyindene-1,3-dione
CID 139638106

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
The IUPAC name of 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one (CID 19594796) is 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one.
What is the SMILES notation for 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
The canonical SMILES for 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one is CCCOc1ccc(OCCN(CC)CC)c2c1-c1c(OCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
The InChIKey is DCNLGIVXNPZVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-6-18-32-23-14-15-24(34-20-17-30(9-4)10-5)27-26(23)25-21(28(27)31)12-11-13-22(25)33-19-16-29(7-2)8-3/h11-15H,6-10,16-20H2,1-5H3.
What are the key properties of 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one?
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one has a molecular weight of 468.64 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one is sourced from PubChem (CID 19594796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).