lithium 9-(diethylamino)fluoren-9-olate

C17H18LiNO — CID 138977249

IUPAClithium 9-(diethylamino)fluoren-9-olate
SMILESCCN(CC)C1([O-])c2ccccc2-c2ccccc21.[Li+]
InChIInChI=1S/C17H18NO.Li/c1-3-18(4-2)17(19)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17;/h5-12H,3-4H2,1-2H3;/q-1;+1
InChIKeyLQWLUJSVFHEEBM-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.43
Rot. Bonds3

About lithium 9-(diethylamino)fluoren-9-olate

lithium 9-(diethylamino)fluoren-9-olate (PubChem CID 138977249) has the molecular formula C17H18LiNO and a molecular weight of 259.28 g/mol. Its IUPAC name is lithium 9-(diethylamino)fluoren-9-olate.

Molecular Properties

Compound Namelithium 9-(diethylamino)fluoren-9-olate
PubChem CID138977249
Molecular FormulaC17H18LiNO
Molecular Weight259.28 g/mol
Exact Mass259.15
IUPAC Namelithium 9-(diethylamino)fluoren-9-olate
SMILESCCN(CC)C1([O-])c2ccccc2-c2ccccc21.[Li+]
InChIInChI=1S/C17H18NO.Li/c1-3-18(4-2)17(19)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17;/h5-12H,3-4H2,1-2H3;/q-1;+1
InChIKeyLQWLUJSVFHEEBM-UHFFFAOYSA-N
XLogP-0.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[Benzyl(methyl)amino]prop-1-ynyl]fluoren-9-ol
CID 1313163
(E)-9-(3-(diethylamino)prop-1-en-1-yl)-9H-fluoren-9-ol
CID 5768281
9-[3-(diethylamino)propyl]-9H-fluoren-9-ol hydrochloride
CID 1896141
9-[3-(Dimethylamino)propyl]fluoren-9-ol
CID 23737064
(3aS,4R,8bR)-4-methyl-3-phenyl-8b-pyrrolidin-1-yl-3a,4-dihydroindeno[2,1-d][1,2]oxazole
CID 139217571
(3aS,4R,8bR)-4-methyl-3-phenyl-8b-piperidin-1-yl-3a,4-dihydroindeno[2,1-d][1,2]oxazole
CID 139217581
9-{4-[benzyl(methyl)amino]-2-butynyl}-9H-fluoren-9-ol
CID 1895430
9-[3-(Diethylamino)propyl]fluoren-9-ol;hydrochloride
CID 2892851
9-[(E)-4-(diethylamino)but-1-enyl]fluoren-9-ol
CID 5768282
2-[1-(2,4,6-Trimethylphenyl)ethyl]spiro[9H-fluorene-9,3'-oxaziridine]
CID 606890
(1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol
CID 11461857
(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol
CID 101189380

Frequently Asked Questions

What is the IUPAC name of lithium 9-(diethylamino)fluoren-9-olate?
The IUPAC name of lithium 9-(diethylamino)fluoren-9-olate (CID 138977249) is lithium 9-(diethylamino)fluoren-9-olate.
What is the SMILES notation for lithium 9-(diethylamino)fluoren-9-olate?
The canonical SMILES for lithium 9-(diethylamino)fluoren-9-olate is CCN(CC)C1([O-])c2ccccc2-c2ccccc21.[Li+].
What is the InChIKey of lithium 9-(diethylamino)fluoren-9-olate?
The InChIKey is LQWLUJSVFHEEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO.Li/c1-3-18(4-2)17(19)15-11-7-5-9-13(15)14-10-6-8-12-16(14)17;/h5-12H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium 9-(diethylamino)fluoren-9-olate?
lithium 9-(diethylamino)fluoren-9-olate has a molecular weight of 259.28 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 9-(diethylamino)fluoren-9-olate is sourced from PubChem (CID 138977249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).