undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)

C90H71Li11N8O7+8 — CID 161322168

IUPACundecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)
SMILESCc1ccc2cccc([O-])c2[nH+]1.[H-].[H-].[H-].[H-].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc(-c2ccccc2)cc2cc(-c3ccccc3)c[nH+]c12.[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.c1cc2c3c(c1)ccc[n+]3CO2
InChIInChI=1S/C21H15NO.C18H12N2O.C13H9NO.C10H8NO.C10H9NO.2C9H7NO.11Li.4H/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;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;2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;;;;;;;/h1-14,23H;1-11,21H;1-8,15H;1-6H,7H2;2-6,12H,1H3;2*1-6,11H;;;;;;;;;;;;;;;/q;;;+1;;;;11*+1;4*-1
InChIKeyGMOPXGSWUQPEDF-UHFFFAOYSA-N
MW1452.96 g/mol
LogP-19.65
Rot. Bonds3

About undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)

undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate) (PubChem CID 161322168) has the molecular formula C90H71Li11N8O7+8 and a molecular weight of 1452.96 g/mol. Its IUPAC name is undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate).

Molecular Properties

Compound Nameundecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)
PubChem CID161322168
Molecular FormulaC90H71Li11N8O7+8
Molecular Weight1452.96 g/mol
Exact Mass1452.72
IUPAC Nameundecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)
SMILESCc1ccc2cccc([O-])c2[nH+]1.[H-].[H-].[H-].[H-].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc(-c2ccccc2)cc2cc(-c3ccccc3)c[nH+]c12.[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.c1cc2c3c(c1)ccc[n+]3CO2
InChIInChI=1S/C21H15NO.C18H12N2O.C13H9NO.C10H8NO.C10H9NO.2C9H7NO.11Li.4H/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;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;2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;;;;;;;/h1-14,23H;1-11,21H;1-8,15H;1-6H,7H2;2-6,12H,1H3;2*1-6,11H;;;;;;;;;;;;;;;/q;;;+1;;;;11*+1;4*-1
InChIKeyGMOPXGSWUQPEDF-UHFFFAOYSA-N
XLogP-19.65
TPSA249.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms116
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001452.96
LogP ≤ 5-19.65
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 undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate) with MolForge

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Launch Full Analysis

Related Compounds

CID 157251634
CID 157251634
5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-8-fluoroquinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethylindole;3-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;[2-(4-methyl-3H-inden-1-yl)quinolin-5-yl]methanol;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
CID 159566042
2-(5,6-difluoro-3H-inden-1-yl)-6-methylquinoline;2-(6-fluoro-5-methyl-3H-inden-1-yl)-8-(trifluoromethyl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
CID 159836801
Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
10,12,13,23-tetrakis(8-methoxyquinolin-7-yl)-21H-porphyrin
CID 88499124
5-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)-N,N-dimethyl-2-[[5-(1-methylindol-5-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-1-yl]oxymethyl]aniline
CID 123208931
2-(7-methoxy-1H-indol-3-yl)-4-methyl-6-[[3-[7-(3-quinolin-2-yl-1H-indol-6-yl)quinolin-2-yl]-1H-indol-7-yl]methyl]quinoline
CID 123394398
5,10,15,20-Tetrakis(8-methoxyquinolin-7-yl)-21,23-dihydroporphyrin
CID 136433098
7-(9,9-dimethylacridin-10-yl)-1,10-diphenylpyrrolo[2,3-a]carbazole;10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-3,7-dimethylphenoxazine;10-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenoxazine;N,N,1,10-tetraphenylpyrrolo[2,3-a]carbazol-7-amine
CID 157081148
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 157144787
CID 157149179
CID 157149179
CID 157182386
CID 157182386

Frequently Asked Questions

What is the IUPAC name of undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)?
The IUPAC name of undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate) (CID 161322168) is undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate).
What is the SMILES notation for undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)?
The canonical SMILES for undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate) is Cc1ccc2cccc([O-])c2[nH+]1.[H-].[H-].[H-].[H-].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1cc(-c2ccccc2)cc2cc(-c3ccccc3)c[nH+]c12.[O-]c1cc2ccccc2c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1ccccc1-c1ccc2ccc3cccnc3c2[nH+]1.c1cc2c3c(c1)ccc[n+]3CO2.
What is the InChIKey of undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)?
The InChIKey is GMOPXGSWUQPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO.C18H12N2O.C13H9NO.C10H8NO.C10H9NO.2C9H7NO.11Li.4H/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;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;2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;;;;;;;/h1-14,23H;1-11,21H;1-8,15H;1-6H,7H2;2-6,12H,1H3;2*1-6,11H;;;;;;;;;;;;;;;/q;;;+1;;;;11*+1;4*-1.
What are the key properties of undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate)?
undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate) has a molecular weight of 1452.96 g/mol, XLogP of -19.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for undecalithium;benzo[f]quinolin-4-ium-5-olate;3,6-diphenylquinolin-1-ium-8-olate;hydride;2-methylquinolin-1-ium-8-olate;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;bis(quinolin-1-ium-8-olate) is sourced from PubChem (CID 161322168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).