tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate

C135H86Li4N10O4+4 — CID 157310278

IUPACtetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)c2ccc[nH+]c12
InChIInChI=1S/C51H32N4O2.2C42H27N3O.4Li/c56-45-26-24-37(40-14-8-28-52-49(40)45)47-35-12-4-5-13-36(35)48(38-25-27-46(57)50-41(38)15-9-29-53-50)42-30-33(22-23-39(42)47)31-18-20-32(21-19-31)51-54-43-16-6-7-17-44(43)55(51)34-10-2-1-3-11-34;46-39-23-22-34(35-13-8-24-43-41(35)39)40-33-12-5-4-9-30(33)25-31-21-20-29(26-36(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32;46-39-23-22-35(36-13-8-24-43-41(36)39)40-33-12-5-4-9-30(33)26-31-25-29(20-21-34(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32;;;;/h1-30,56-57H;2*1-26,46H;;;;/q;;;4*+1
InChIKeyBCYPCFCYIFVHAF-UHFFFAOYSA-N
MW1940.00 g/mol
LogP16.85
Rot. Bonds13

About tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate

tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (PubChem CID 157310278) has the molecular formula C135H86Li4N10O4+4 and a molecular weight of 1940.00 g/mol. Its IUPAC name is tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Nametetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
PubChem CID157310278
Molecular FormulaC135H86Li4N10O4+4
Molecular Weight1940.00 g/mol
Exact Mass1938.75
IUPAC Nametetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)c2ccc[nH+]c12
InChIInChI=1S/C51H32N4O2.2C42H27N3O.4Li/c56-45-26-24-37(40-14-8-28-52-49(40)45)47-35-12-4-5-13-36(35)48(38-25-27-46(57)50-41(38)15-9-29-53-50)42-30-33(22-23-39(42)47)31-18-20-32(21-19-31)51-54-43-16-6-7-17-44(43)55(51)34-10-2-1-3-11-34;46-39-23-22-34(35-13-8-24-43-41(35)39)40-33-12-5-4-9-30(33)25-31-21-20-29(26-36(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32;46-39-23-22-35(36-13-8-24-43-41(36)39)40-33-12-5-4-9-30(33)26-31-25-29(20-21-34(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32;;;;/h1-30,56-57H;2*1-26,46H;;;;/q;;;4*+1
InChIKeyBCYPCFCYIFVHAF-UHFFFAOYSA-N
XLogP16.85
TPSA202.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001940.00
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate with MolForge

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Launch Full Analysis

Related Compounds

4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
CID 158788116
CID 159204676
CID 159204676
bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate
CID 139200359
Beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
CID 57735208
5-[10-(8-Hydroxyquinolin-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502636
5-[4-[10-[4-(8-Hydroxyquinolin-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol
CID 136502640
7-[10-(8-Hydroxyquinolin-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502656
5-[12-(8-Hydroxyquinolin-5-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-8-ol
CID 136502710
Lithium 5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600452
Lithium 7-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600453
Lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
CID 140600455
Lithium 5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600459

Frequently Asked Questions

What is the IUPAC name of tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The IUPAC name of tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (CID 157310278) is tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The canonical SMILES for tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)c2ccc[nH+]c12.
What is the InChIKey of tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The InChIKey is BCYPCFCYIFVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2.2C42H27N3O.4Li/c56-45-26-24-37(40-14-8-28-52-49(40)45)47-35-12-4-5-13-36(35)48(38-25-27-46(57)50-41(38)15-9-29-53-50)42-30-33(22-23-39(42)47)31-18-20-32(21-19-31)51-54-43-16-6-7-17-44(43)55(51)34-10-2-1-3-11-34;46-39-23-22-34(35-13-8-24-43-41(35)39)40-33-12-5-4-9-30(33)25-31-21-20-29(26-36(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32;46-39-23-22-35(36-13-8-24-43-41(36)39)40-33-12-5-4-9-30(33)26-31-25-29(20-21-34(31)40)27-16-18-28(19-17-27)42-44-37-14-6-7-15-38(37)45(42)32-10-2-1-3-11-32;;;;/h1-30,56-57H;2*1-26,46H;;;;/q;;;4*+1.
What are the key properties of tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate has a molecular weight of 1940.00 g/mol, XLogP of 16.85, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157310278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).