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

C91H68Li5N8O7+7 — CID 161428972

IUPACpentalithium;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
SMILESCc1ccc2cccc([O-])c2[nH+]1.[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc(-c2ccccc2)cc2cc(-c3ccccc3)c[nH+]c12.[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.c1cc2c3c(c1)ccc[n+]3CO2.c1cc2c3c(c1)ccc[n+]3CO2
InChIInChI=1S/C21H15NO.C18H12N2O.C13H9NO.2C10H8NO.C10H9NO.C9H7NO.5Li/c23-20-13-17(15-7-3-1-4-8-15)11-18-12-19(14-22-21(18)20)16-9-5-2-6-10-16;21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;2*1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h1-14,23H;1-11,21H;1-8,15H;2*1-6H,7H2;2-6,12H,1H3;1-6,11H;;;;;/q;;;2*+1;;;5*+1
InChIKeyHURXQYLGYPAJOZ-UHFFFAOYSA-N
MW1420.30 g/mol
LogP-1.38
Rot. Bonds3

About 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

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 (PubChem CID 161428972) has the molecular formula C91H68Li5N8O7+7 and a molecular weight of 1420.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepentalithium;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
PubChem CID161428972
Molecular FormulaC91H68Li5N8O7+7
Molecular Weight1420.30 g/mol
Exact Mass1419.60
IUPAC Namepentalithium;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
SMILESCc1ccc2cccc([O-])c2[nH+]1.[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc(-c2ccccc2)cc2cc(-c3ccccc3)c[nH+]c12.[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.c1cc2c3c(c1)ccc[n+]3CO2.c1cc2c3c(c1)ccc[n+]3CO2
InChIInChI=1S/C21H15NO.C18H12N2O.C13H9NO.2C10H8NO.C10H9NO.C9H7NO.5Li/c23-20-13-17(15-7-3-1-4-8-15)11-18-12-19(14-22-21(18)20)16-9-5-2-6-10-16;21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;2*1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h1-14,23H;1-11,21H;1-8,15H;2*1-6H,7H2;2-6,12H,1H3;1-6,11H;;;;;/q;;;2*+1;;;5*+1
InChIKeyHURXQYLGYPAJOZ-UHFFFAOYSA-N
XLogP-1.38
TPSA225.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms111
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001420.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

magnesium 2-(1,10-phenanthrolin-1-ium-2-yl)phenolate
CID 59156362
lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate
CID 159965073
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
2-carboxyphenolate;1,10-phenanthrolin-10-ium
CID 54696347
4-methyl-2-phenyl-1,10-phenanthroline
CID 161241455
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
calcium;cesium;heptalithium;2-(1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(5,6-diisocyano-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)naphthalen-1-olate;2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate;2,2-diphenyl-1-pyridin-1-ium-2-ylethenolate;2-isoquinolin-2-ium-1-ylphenolate;2-phenanthridin-5-ium-6-ylphenolate;2-(1,10-phenanthrolin-1-ium-2-yl)phenolate;2-quinolin-1-ium-2-ylphenolate;bis(sulfur dioxide)
CID 159587745
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
CID 170404750
pentalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate;7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
CID 160905164
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2cccc([O-])c2[nH+]1.[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc(-c2ccccc2)cc2cc(-c3ccccc3)c[nH+]c12.[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.c1cc2c3c(c1)ccc[n+]3CO2.c1cc2c3c(c1)ccc[n+]3CO2.
What is the InChIKey of 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?
The InChIKey is HURXQYLGYPAJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO.C18H12N2O.C13H9NO.2C10H8NO.C10H9NO.C9H7NO.5Li/c23-20-13-17(15-7-3-1-4-8-15)11-18-12-19(14-22-21(18)20)16-9-5-2-6-10-16;21-16-6-2-1-5-14(16)15-10-9-13-8-7-12-4-3-11-19-17(12)18(13)20-15;15-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)12;2*1-3-8-4-2-6-11-7-12-9(5-1)10(8)11;1-7-5-6-8-3-2-4-9(12)10(8)11-7;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;/h1-14,23H;1-11,21H;1-8,15H;2*1-6H,7H2;2-6,12H,1H3;1-6,11H;;;;;/q;;;2*+1;;;5*+1.
What are the key properties of 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?
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 has a molecular weight of 1420.30 g/mol, XLogP of -1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161428972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).