lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate

C28H20KLiN2O2+2 — CID 159965073

IUPAClithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate
SMILES[K+].[Li+].[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccccc2[nH+]1
InChIInChI=1S/C15H11NO.C13H9NO.K.Li/c17-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)16-14;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;;/h1-10,17H;1-8,15H;;/q;;2*+1
InChIKeyODVDTEBCGRZYRA-UHFFFAOYSA-N
MW462.52 g/mol
LogP-1.72
Rot. Bonds1

About lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate

lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate (PubChem CID 159965073) has the molecular formula C28H20KLiN2O2+2 and a molecular weight of 462.52 g/mol. Its IUPAC name is lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate.

Molecular Properties

Compound Namelithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate
PubChem CID159965073
Molecular FormulaC28H20KLiN2O2+2
Molecular Weight462.52 g/mol
Exact Mass462.13
IUPAC Namelithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate
SMILES[K+].[Li+].[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccccc2[nH+]1
InChIInChI=1S/C15H11NO.C13H9NO.K.Li/c17-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)16-14;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;;/h1-10,17H;1-8,15H;;/q;;2*+1
InChIKeyODVDTEBCGRZYRA-UHFFFAOYSA-N
XLogP-1.72
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate with MolForge

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Launch Full Analysis

Related Compounds

dilithium;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;quinolin-1-ium-8-olate
CID 161035519
pentalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;bis(3-oxa-1-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene);2-(1,10-phenanthrolin-1-ium-2-yl)phenolate;quinolin-1-ium-8-olate
CID 161428972
beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
CID 20606751
methanesulfonate;quinolin-1-ium
CID 11521445
quinolin-1-ium sulfamate
CID 11680206
lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
CID 140801003
lithium 2-[9-(4-triphenylen-2-ylisoquinolin-1-yl)-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820251
beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate
CID 59219775
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
potassium 2-phenylquinolin-1-ium-8-olate
CID 58233309
lithium 5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600459
lithium 5-[2-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600510

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate?
The IUPAC name of lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate (CID 159965073) is lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate.
What is the SMILES notation for lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate?
The canonical SMILES for lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate is [K+].[Li+].[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccccc2[nH+]1.
What is the InChIKey of lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate?
The InChIKey is ODVDTEBCGRZYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO.C13H9NO.K.Li/c17-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)16-14;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;;/h1-10,17H;1-8,15H;;/q;;2*+1.
What are the key properties of lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate?
lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate has a molecular weight of 462.52 g/mol, XLogP of -1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate is sourced from PubChem (CID 159965073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).