tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate

C147H94Li4N10O4+4 — CID 158020993

IUPACtetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3cc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc([O-])c6[nH+]cccc56)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)c2ccc[nH+]c12
InChIInChI=1S/C63H40N4O2.2C42H27N3O.4Li/c68-57-34-32-47(52-14-8-36-64-61(52)57)40-20-24-42(25-21-40)59-49-12-4-5-13-50(49)60(43-26-22-41(23-27-43)48-33-35-58(69)62-53(48)15-9-37-65-62)54-38-45(30-31-51(54)59)39-18-28-44(29-19-39)63-66-55-16-6-7-17-56(55)67(63)46-10-2-1-3-11-46;46-41-36(23-20-28-10-8-24-43-40(28)41)39-34-13-5-4-9-31(34)26-32-25-30(21-22-35(32)39)27-16-18-29(19-17-27)42-44-37-14-6-7-15-38(37)45(42)33-11-2-1-3-12-33;46-41-35(23-22-28-10-8-24-43-40(28)41)39-34-13-5-4-9-31(34)25-32-21-20-30(26-36(32)39)27-16-18-29(19-17-27)42-44-37-14-6-7-15-38(37)45(42)33-11-2-1-3-12-33;;;;/h1-38,68-69H;2*1-26,46H;;;;/q;;;4*+1
InChIKeyFGBFBYAFKQVKJJ-UHFFFAOYSA-N
MW2092.20 g/mol
LogP20.18
Rot. Bonds15

About tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate

tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (PubChem CID 158020993) has the molecular formula C147H94Li4N10O4+4 and a molecular weight of 2092.20 g/mol. Its IUPAC name is tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Nametetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
PubChem CID158020993
Molecular FormulaC147H94Li4N10O4+4
Molecular Weight2092.20 g/mol
Exact Mass2090.81
IUPAC Nametetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3cc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc([O-])c6[nH+]cccc56)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)c2ccc[nH+]c12
InChIInChI=1S/C63H40N4O2.2C42H27N3O.4Li/c68-57-34-32-47(52-14-8-36-64-61(52)57)40-20-24-42(25-21-40)59-49-12-4-5-13-50(49)60(43-26-22-41(23-27-43)48-33-35-58(69)62-53(48)15-9-37-65-62)54-38-45(30-31-51(54)59)39-18-28-44(29-19-39)63-66-55-16-6-7-17-56(55)67(63)46-10-2-1-3-11-46;46-41-36(23-20-28-10-8-24-43-40(28)41)39-34-13-5-4-9-31(34)26-32-25-30(21-22-35(32)39)27-16-18-29(19-17-27)42-44-37-14-6-7-15-38(37)45(42)33-11-2-1-3-12-33;46-41-35(23-22-28-10-8-24-43-40(28)41)39-34-13-5-4-9-31(34)25-32-21-20-30(26-36(32)39)27-16-18-29(19-17-27)42-44-37-14-6-7-15-38(37)45(42)33-11-2-1-3-12-33;;;;/h1-38,68-69H;2*1-26,46H;;;;/q;;;4*+1
InChIKeyFGBFBYAFKQVKJJ-UHFFFAOYSA-N
XLogP20.18
TPSA202.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002092.20
LogP ≤ 520.18
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-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate with MolForge

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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
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
7-[10-(8-Hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
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
2-[10-(8-Hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502657
5-[12-(8-Hydroxyquinolin-5-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-8-ol
CID 136502710
7-[12-(8-Hydroxyquinolin-7-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-8-ol
CID 136502713
7-[4-[10-[4-(8-Hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol
CID 137052788
Lithium 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]quinolin-1-ium-8-olate
CID 140600450

Frequently Asked Questions

What is the IUPAC name of tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The IUPAC name of tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (CID 158020993) is tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The canonical SMILES for tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3cc3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc([O-])c6[nH+]cccc56)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)c2ccc[nH+]c12.
What is the InChIKey of tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The InChIKey is FGBFBYAFKQVKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O2.2C42H27N3O.4Li/c68-57-34-32-47(52-14-8-36-64-61(52)57)40-20-24-42(25-21-40)59-49-12-4-5-13-50(49)60(43-26-22-41(23-27-43)48-33-35-58(69)62-53(48)15-9-37-65-62)54-38-45(30-31-51(54)59)39-18-28-44(29-19-39)63-66-55-16-6-7-17-56(55)67(63)46-10-2-1-3-11-46;46-41-36(23-20-28-10-8-24-43-40(28)41)39-34-13-5-4-9-31(34)26-32-25-30(21-22-35(32)39)27-16-18-29(19-17-27)42-44-37-14-6-7-15-38(37)45(42)33-11-2-1-3-12-33;46-41-35(23-22-28-10-8-24-43-40(28)41)39-34-13-5-4-9-31(34)25-32-21-20-30(26-36(32)39)27-16-18-29(19-17-27)42-44-37-14-6-7-15-38(37)45(42)33-11-2-1-3-12-33;;;;/h1-38,68-69H;2*1-26,46H;;;;/q;;;4*+1.
What are the key properties of tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate has a molecular weight of 2092.20 g/mol, XLogP of 20.18, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate;7-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 158020993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).