2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one

C35H54N2O3 — CID 154339493

IUPAC2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
SMILESCCCN(CCC)CCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCCCN(CCC)CCC)ccc1-2
InChIInChI=1S/C35H54N2O3/c1-5-19-36(20-6-2)23-11-9-13-25-39-29-15-17-31-32-18-16-30(28-34(32)35(38)33(31)27-29)40-26-14-10-12-24-37(21-7-3)22-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3
InChIKeyIDKWBVBDGZSWCC-UHFFFAOYSA-N
MW550.83 g/mol
LogP8.24
Rot. Bonds22

About 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one

2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one (PubChem CID 154339493) has the molecular formula C35H54N2O3 and a molecular weight of 550.83 g/mol. Its IUPAC name is 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
PubChem CID154339493
Molecular FormulaC35H54N2O3
Molecular Weight550.83 g/mol
Exact Mass550.41
IUPAC Name2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
SMILESCCCN(CCC)CCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCCCN(CCC)CCC)ccc1-2
InChIInChI=1S/C35H54N2O3/c1-5-19-36(20-6-2)23-11-9-13-25-39-29-15-17-31-32-18-16-30(28-34(32)35(38)33(31)27-29)40-26-14-10-12-24-37(21-7-3)22-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3
InChIKeyIDKWBVBDGZSWCC-UHFFFAOYSA-N
XLogP8.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.83
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
3-[7-[3-(dipropylamino)propoxy]-5-oxodibenzothiophen-2-yl]oxy-N,N-dipropylpropan-1-amine
CID 67164645
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
2-octadecoxytetracene-5,12-dione
CID 19812763
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755
4-[7-[4-[diethyl(methyl)azaniumyl]butoxy]-9-oxofluoren-2-yl]oxybutyl-diethyl-methylazanium iodide
CID 16681825
2,7-bis[4-(4-hexoxy-N-(4-hexoxyphenyl)anilino)phenyl]fluoren-9-one
CID 171056031
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
(2E)-5-dodecoxy-2-(hydroxymethylidene)indene-1,3-dione
CID 59879740
trimethyl-[3-[9-oxo-6-[3-(trimethylazaniumyl)propoxy]fluoren-2-yl]oxypropyl]azanium
CID 57439338

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one?
The IUPAC name of 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one (CID 154339493) is 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one is CCCN(CCC)CCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCCCN(CCC)CCC)ccc1-2.
What is the InChIKey of 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one?
The InChIKey is IDKWBVBDGZSWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54N2O3/c1-5-19-36(20-6-2)23-11-9-13-25-39-29-15-17-31-32-18-16-30(28-34(32)35(38)33(31)27-29)40-26-14-10-12-24-37(21-7-3)22-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3.
What are the key properties of 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one?
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one has a molecular weight of 550.83 g/mol, XLogP of 8.24, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one is sourced from PubChem (CID 154339493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).