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

C141H87Li6N11O6S+6 — CID 158624167

IUPAChexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4nc5ccccc5s4)ccc23)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3c4ccccc4c(-c4ccc5ccc[nH+]c5c4[O-])c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)[nH+]c12.[O-]c1cccc2ccc(-c3c4ccccc4c(-c4ccc5cccc([O-])c5[nH+]4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)[nH+]c12
InChIInChI=1S/2C51H32N4O2.C39H23N3O2S.6Li/c56-45-18-8-10-32-25-28-43(53-48(32)45)47-38-15-5-4-14-37(38)46(40-27-23-33-11-9-29-52-49(33)50(40)57)41-30-35(24-26-39(41)47)31-19-21-34(22-20-31)51-54-42-16-6-7-17-44(42)55(51)36-12-2-1-3-13-36;56-45-18-8-10-32-25-28-42(52-49(32)45)47-37-14-4-5-15-38(37)48(43-29-26-33-11-9-19-46(57)50(33)53-43)40-30-35(24-27-39(40)47)31-20-22-34(23-21-31)51-54-41-16-6-7-17-44(41)55(51)36-12-2-1-3-13-36;43-32-17-15-25(28-9-5-19-40-37(28)32)35-23-7-1-2-8-24(23)36(26-16-18-33(44)38-29(26)10-6-20-41-38)30-21-22(13-14-27(30)35)39-42-31-11-3-4-12-34(31)45-39;;;;;;/h2*1-30,56-57H;1-21,43-44H;;;;;;/q;;;6*+1
InChIKeyHYJNZWZUNROJHA-UHFFFAOYSA-N
MW2105.03 g/mol
LogP9.87
Rot. Bonds13

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

hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (PubChem CID 158624167) has the molecular formula C141H87Li6N11O6S+6 and a molecular weight of 2105.03 g/mol. Its IUPAC name is hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namehexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
PubChem CID158624167
Molecular FormulaC141H87Li6N11O6S+6
Molecular Weight2105.03 g/mol
Exact Mass2103.75
IUPAC Namehexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4nc5ccccc5s4)ccc23)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3c4ccccc4c(-c4ccc5ccc[nH+]c5c4[O-])c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)[nH+]c12.[O-]c1cccc2ccc(-c3c4ccccc4c(-c4ccc5cccc([O-])c5[nH+]4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)[nH+]c12
InChIInChI=1S/2C51H32N4O2.C39H23N3O2S.6Li/c56-45-18-8-10-32-25-28-43(53-48(32)45)47-38-15-5-4-14-37(38)46(40-27-23-33-11-9-29-52-49(33)50(40)57)41-30-35(24-26-39(41)47)31-19-21-34(22-20-31)51-54-42-16-6-7-17-44(42)55(51)36-12-2-1-3-13-36;56-45-18-8-10-32-25-28-42(52-49(32)45)47-37-14-4-5-15-38(37)48(43-29-26-33-11-9-19-46(57)50(33)53-43)40-30-35(24-27-39(40)47)31-20-22-34(23-21-31)51-54-41-16-6-7-17-44(41)55(51)36-12-2-1-3-13-36;43-32-17-15-25(28-9-5-19-40-37(28)32)35-23-7-1-2-8-24(23)36(26-16-18-33(44)38-29(26)10-6-20-41-38)30-21-22(13-14-27(30)35)39-42-31-11-3-4-12-34(31)45-39;;;;;;/h2*1-30,56-57H;1-21,43-44H;;;;;;/q;;;6*+1
InChIKeyHYJNZWZUNROJHA-UHFFFAOYSA-N
XLogP9.87
TPSA271.73 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002105.03
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate with MolForge

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Related Compounds

dilithium;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600531
lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600554
dilithium;7-[7-(8-oxidoquinolin-1-ium-7-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 140600573
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate
CID 158120638
lithium 5-[2-(1,3-benzothiazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600510
lithium 5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600459
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534

Frequently Asked Questions

What is the IUPAC name of hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The IUPAC name of hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (CID 158624167) is hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The canonical SMILES for hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4nc5ccccc5s4)ccc23)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3c4ccccc4c(-c4ccc5ccc[nH+]c5c4[O-])c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)[nH+]c12.[O-]c1cccc2ccc(-c3c4ccccc4c(-c4ccc5cccc([O-])c5[nH+]4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)[nH+]c12.
What is the InChIKey of hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The InChIKey is HYJNZWZUNROJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4O2.C39H23N3O2S.6Li/c56-45-18-8-10-32-25-28-43(53-48(32)45)47-38-15-5-4-14-37(38)46(40-27-23-33-11-9-29-52-49(33)50(40)57)41-30-35(24-26-39(41)47)31-19-21-34(22-20-31)51-54-42-16-6-7-17-44(42)55(51)36-12-2-1-3-13-36;56-45-18-8-10-32-25-28-42(52-49(32)45)47-37-14-4-5-15-38(37)48(43-29-26-33-11-9-19-46(57)50(33)53-43)40-30-35(24-27-39(40)47)31-20-22-34(23-21-31)51-54-41-16-6-7-17-44(41)55(51)36-12-2-1-3-13-36;43-32-17-15-25(28-9-5-19-40-37(28)32)35-23-7-1-2-8-24(23)36(26-16-18-33(44)38-29(26)10-6-20-41-38)30-21-22(13-14-27(30)35)39-42-31-11-3-4-12-34(31)45-39;;;;;;/h2*1-30,56-57H;1-21,43-44H;;;;;;/q;;;6*+1.
What are the key properties of hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate has a molecular weight of 2105.03 g/mol, XLogP of 9.87, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;5-[3-(1,3-benzothiazol-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-2-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;2-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 158624167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).