dilithium;9,10-dioxoanthracene-1,2-dicarboxylate

C16H6Li2O6 — CID 175522887

IUPACdilithium;9,10-dioxoanthracene-1,2-dicarboxylate
SMILESO=C([O-])c1ccc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O.[Li+].[Li+]
InChIInChI=1S/C16H8O6.2Li/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22;;/h1-6H,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyKBGJQIIWWHKUPO-UHFFFAOYSA-L
MW308.10 g/mol
LogP-6.80
Rot. Bonds2

About dilithium;9,10-dioxoanthracene-1,2-dicarboxylate

dilithium;9,10-dioxoanthracene-1,2-dicarboxylate (PubChem CID 175522887) has the molecular formula C16H6Li2O6 and a molecular weight of 308.10 g/mol. Its IUPAC name is dilithium;9,10-dioxoanthracene-1,2-dicarboxylate.

Molecular Properties

Compound Namedilithium;9,10-dioxoanthracene-1,2-dicarboxylate
PubChem CID175522887
Molecular FormulaC16H6Li2O6
Molecular Weight308.10 g/mol
Exact Mass308.05
IUPAC Namedilithium;9,10-dioxoanthracene-1,2-dicarboxylate
SMILESO=C([O-])c1ccc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O.[Li+].[Li+]
InChIInChI=1S/C16H8O6.2Li/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22;;/h1-6H,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyKBGJQIIWWHKUPO-UHFFFAOYSA-L
XLogP-6.80
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 5-6.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze dilithium;9,10-dioxoanthracene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethylamino)-9,10-dioxoanthracene-2-carboxylate
CID 7064882
9-oxofluorene-1-carboxylate
CID 6928439
2-acetyl-1-hydroxyanthracene-9,10-dione
CID 12033048
2-[(S)-(9,10-dioxoanthracen-1-yl)sulfinyl]benzoate
CID 11890222
dilithium;3-phenylphthalate
CID 130387255
sodium 2-carboxy-9,10-dioxoanthracene-1-sulfonate
CID 23701853
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
9,10-dioxo-2-sulfoanthracene-1-carboxylic acid
CID 154171939
1-nitro-N'-(1-nitro-9,10-dioxoanthracene-2-carbonyl)-9,10-dioxoanthracene-2-carbohydrazide
CID 6115087
2-benzoyl-9-oxofluorene-1-carboxylic acid
CID 165349284
9,10-dioxo-2-phenylmethoxyanthracene-1-carboxylic acid
CID 150017860

Frequently Asked Questions

What is the IUPAC name of dilithium;9,10-dioxoanthracene-1,2-dicarboxylate?
The IUPAC name of dilithium;9,10-dioxoanthracene-1,2-dicarboxylate (CID 175522887) is dilithium;9,10-dioxoanthracene-1,2-dicarboxylate.
What is the SMILES notation for dilithium;9,10-dioxoanthracene-1,2-dicarboxylate?
The canonical SMILES for dilithium;9,10-dioxoanthracene-1,2-dicarboxylate is O=C([O-])c1ccc2c(c1C(=O)[O-])C(=O)c1ccccc1C2=O.[Li+].[Li+].
What is the InChIKey of dilithium;9,10-dioxoanthracene-1,2-dicarboxylate?
The InChIKey is KBGJQIIWWHKUPO-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H8O6.2Li/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22;;/h1-6H,(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of dilithium;9,10-dioxoanthracene-1,2-dicarboxylate?
dilithium;9,10-dioxoanthracene-1,2-dicarboxylate has a molecular weight of 308.10 g/mol, XLogP of -6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;9,10-dioxoanthracene-1,2-dicarboxylate is sourced from PubChem (CID 175522887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).