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

C153H96Li6N12O6+6 — CID 158234754

IUPAChexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-]c1c(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12
InChIInChI=1S/3C51H32N4O2.6Li/c56-49-40(26-22-32-10-8-28-52-47(32)49)45-37-14-4-5-15-38(37)46(41-27-23-33-11-9-29-53-48(33)50(41)57)42-30-35(24-25-39(42)45)31-18-20-34(21-19-31)51-54-43-16-6-7-17-44(43)55(51)36-12-2-1-3-13-36;56-45-27-26-38(40-15-9-29-53-49(40)45)46-36-13-4-5-14-37(36)47(41-25-22-32-10-8-28-52-48(32)50(41)57)42-30-34(23-24-39(42)46)31-18-20-33(21-19-31)51-54-43-16-6-7-17-44(43)55(51)35-11-2-1-3-12-35;56-45-26-24-37(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;;;;;;/h3*1-30,56-57H;;;;;;/q;;;6*+1
InChIKeyGEVAXHUOCAVLFS-UHFFFAOYSA-N
MW2240.17 g/mol
LogP12.27
Rot. Bonds15

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

hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (PubChem CID 158234754) has the molecular formula C153H96Li6N12O6+6 and a molecular weight of 2240.17 g/mol. Its IUPAC name is hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
PubChem CID158234754
Molecular FormulaC153H96Li6N12O6+6
Molecular Weight2240.17 g/mol
Exact Mass2238.85
IUPAC Namehexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-]c1c(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12
InChIInChI=1S/3C51H32N4O2.6Li/c56-49-40(26-22-32-10-8-28-52-47(32)49)45-37-14-4-5-15-38(37)46(41-27-23-33-11-9-29-53-48(33)50(41)57)42-30-35(24-25-39(42)45)31-18-20-34(21-19-31)51-54-43-16-6-7-17-44(43)55(51)36-12-2-1-3-13-36;56-45-27-26-38(40-15-9-29-53-49(40)45)46-36-13-4-5-14-37(36)47(41-25-22-32-10-8-28-52-48(32)50(41)57)42-30-34(23-24-39(42)46)31-18-20-33(21-19-31)51-54-43-16-6-7-17-44(43)55(51)35-11-2-1-3-12-35;56-45-26-24-37(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;;;;;;/h3*1-30,56-57H;;;;;;/q;;;6*+1
InChIKeyGEVAXHUOCAVLFS-UHFFFAOYSA-N
XLogP12.27
TPSA276.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002240.17
LogP ≤ 512.27
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-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (CID 158234754) is hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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-]c1c(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)c2ccc[nH+]c12.
What is the InChIKey of hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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 GEVAXHUOCAVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C51H32N4O2.6Li/c56-49-40(26-22-32-10-8-28-52-47(32)49)45-37-14-4-5-15-38(37)46(41-27-23-33-11-9-29-53-48(33)50(41)57)42-30-35(24-25-39(42)45)31-18-20-34(21-19-31)51-54-43-16-6-7-17-44(43)55(51)36-12-2-1-3-13-36;56-45-27-26-38(40-15-9-29-53-49(40)45)46-36-13-4-5-14-37(36)47(41-25-22-32-10-8-28-52-48(32)50(41)57)42-30-34(23-24-39(42)46)31-18-20-33(21-19-31)51-54-43-16-6-7-17-44(43)55(51)35-11-2-1-3-12-35;56-45-26-24-37(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;;;;;;/h3*1-30,56-57H;;;;;;/q;;;6*+1.
What are the key properties of hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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 2240.17 g/mol, XLogP of 12.27, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(8-oxidoquinolin-1-ium-5-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[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 158234754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).