hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate

C143H89Li6N13O6+6 — CID 157393303

IUPAChexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2ccc[nH+]c12
InChIInChI=1S/2C48H30N4O2.C47H29N5O2.6Li/c53-46-37(23-19-30-15-9-25-49-44(30)46)42-34-17-7-8-18-35(34)43(38-24-20-31-16-10-26-50-45(31)47(38)54)39-27-33(21-22-36(39)42)41-28-40(29-11-3-1-4-12-29)51-48(52-41)32-13-5-2-6-14-32;53-42-23-21-34(37-17-9-25-49-46(37)42)44-32-15-7-8-16-33(32)45(35-22-24-43(54)47-38(35)18-10-26-50-47)39-27-31(19-20-36(39)44)41-28-40(29-11-3-1-4-12-29)51-48(52-41)30-13-5-2-6-14-30;53-39-24-23-34(36-18-10-26-49-43(36)39)40-32-16-7-8-17-33(32)41(37-22-19-28-15-9-25-48-42(28)44(37)54)38-27-31(20-21-35(38)40)47-51-45(29-11-3-1-4-12-29)50-46(52-47)30-13-5-2-6-14-30;;;;;;/h2*1-28,53-54H;1-27,53-54H;;;;;;/q;;;6*+1
InChIKeyBMGQAAAMCVDUHS-UHFFFAOYSA-N
MW2127.02 g/mol
LogP9.02
Rot. Bonds15

About hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate

hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate (PubChem CID 157393303) has the molecular formula C143H89Li6N13O6+6 and a molecular weight of 2127.02 g/mol. Its IUPAC name is hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namehexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
PubChem CID157393303
Molecular FormulaC143H89Li6N13O6+6
Molecular Weight2127.02 g/mol
Exact Mass2125.80
IUPAC Namehexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2ccc[nH+]c12
InChIInChI=1S/2C48H30N4O2.C47H29N5O2.6Li/c53-46-37(23-19-30-15-9-25-49-44(30)46)42-34-17-7-8-18-35(34)43(38-24-20-31-16-10-26-50-45(31)47(38)54)39-27-33(21-22-36(39)42)41-28-40(29-11-3-1-4-12-29)51-48(52-41)32-13-5-2-6-14-32;53-42-23-21-34(37-17-9-25-49-46(37)42)44-32-15-7-8-16-33(32)45(35-22-24-43(54)47-38(35)18-10-26-50-47)39-27-31(19-20-36(39)44)41-28-40(29-11-3-1-4-12-29)51-48(52-41)30-13-5-2-6-14-30;53-39-24-23-34(36-18-10-26-49-43(36)39)40-32-16-7-8-17-33(32)41(37-22-19-28-15-9-25-48-42(28)44(37)54)38-27-31(20-21-35(38)40)47-51-45(29-11-3-1-4-12-29)50-46(52-47)30-13-5-2-6-14-30;;;;;;/h2*1-28,53-54H;1-27,53-54H;;;;;;/q;;;6*+1
InChIKeyBMGQAAAMCVDUHS-UHFFFAOYSA-N
XLogP9.02
TPSA313.43 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.02
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)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

Related Compounds

Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Lithium 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]quinolin-1-ium-8-olate
CID 140600450
Lithium 5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600452
Lithium 7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate
CID 140600454
Lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
CID 140600457
Lithium 5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate
CID 140600458
Lithium 5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600459
Lithium 5-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600461
Lithium 5-[2-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate
CID 140600462
Lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
CID 140600466
Lithium 5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate
CID 140600467
Dilithium;5-[10-(8-oxidoquinolin-1-ium-5-yl)-3-pyrimidin-5-ylanthracen-9-yl]quinolin-1-ium-8-olate
CID 140600468

Frequently Asked Questions

What is the IUPAC name of hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate?
The IUPAC name of hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate (CID 157393303) is hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate?
The canonical SMILES for hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2ccc[nH+]c12.
What is the InChIKey of hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate?
The InChIKey is BMGQAAAMCVDUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N4O2.C47H29N5O2.6Li/c53-46-37(23-19-30-15-9-25-49-44(30)46)42-34-17-7-8-18-35(34)43(38-24-20-31-16-10-26-50-45(31)47(38)54)39-27-33(21-22-36(39)42)41-28-40(29-11-3-1-4-12-29)51-48(52-41)32-13-5-2-6-14-32;53-42-23-21-34(37-17-9-25-49-46(37)42)44-32-15-7-8-16-33(32)45(35-22-24-43(54)47-38(35)18-10-26-50-47)39-27-31(19-20-36(39)44)41-28-40(29-11-3-1-4-12-29)51-48(52-41)30-13-5-2-6-14-30;53-39-24-23-34(36-18-10-26-49-43(36)39)40-32-16-7-8-17-33(32)41(37-22-19-28-15-9-25-48-42(28)44(37)54)38-27-31(20-21-35(38)40)47-51-45(29-11-3-1-4-12-29)50-46(52-47)30-13-5-2-6-14-30;;;;;;/h2*1-28,53-54H;1-27,53-54H;;;;;;/q;;;6*+1.
What are the key properties of hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate?
hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate has a molecular weight of 2127.02 g/mol, XLogP of 9.02, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;5-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-oxidoquinolin-1-ium-7-yl)anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(8-oxidoquinolin-1-ium-5-yl)anthracen-9-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157393303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).