hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate

C154H94Li6N14O6+6 — CID 157151220

IUPAChexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3c2ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3c2ccc2c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3c2ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c2ccc[nH+]c12
InChIInChI=1S/C52H32N4O2.2C51H31N5O2.6Li/c57-45-26-24-37(39-20-10-28-53-50(39)45)47-35-16-7-8-17-36(35)48(38-25-27-46(58)51-40(38)21-11-29-54-51)49-34-18-9-19-41(33(34)22-23-42(47)49)52-55-43(31-12-3-1-4-13-31)30-44(56-52)32-14-5-2-6-15-32;57-47-40(24-22-30-16-10-28-52-45(30)47)42-36-18-7-8-19-37(36)44(41-25-23-31-17-11-29-53-46(31)48(41)58)43-35-20-9-21-38(34(35)26-27-39(42)43)51-55-49(32-12-3-1-4-13-32)54-50(56-51)33-14-5-2-6-15-33;57-42-26-24-36(38-20-10-28-52-47(38)42)44-34-16-7-8-17-35(34)45(37-25-27-43(58)48-39(37)21-11-29-53-48)46-33-18-9-19-40(32(33)22-23-41(44)46)51-55-49(30-12-3-1-4-13-30)54-50(56-51)31-14-5-2-6-15-31;;;;;;/h1-30,57-58H;2*1-29,57-58H;;;;;;/q;;;6*+1
InChIKeyALGUXMVPGDYGHR-UHFFFAOYSA-N
MW2278.18 g/mol
LogP11.87
Rot. Bonds15

About hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate

hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate (PubChem CID 157151220) has the molecular formula C154H94Li6N14O6+6 and a molecular weight of 2278.18 g/mol. Its IUPAC name is hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namehexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
PubChem CID157151220
Molecular FormulaC154H94Li6N14O6+6
Molecular Weight2278.18 g/mol
Exact Mass2276.84
IUPAC Namehexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3c2ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3c2ccc2c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3c2ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c2ccc[nH+]c12
InChIInChI=1S/C52H32N4O2.2C51H31N5O2.6Li/c57-45-26-24-37(39-20-10-28-53-50(39)45)47-35-16-7-8-17-36(35)48(38-25-27-46(58)51-40(38)21-11-29-54-51)49-34-18-9-19-41(33(34)22-23-42(47)49)52-55-43(31-12-3-1-4-13-31)30-44(56-52)32-14-5-2-6-15-32;57-47-40(24-22-30-16-10-28-52-45(30)47)42-36-18-7-8-19-37(36)44(41-25-23-31-17-11-29-53-46(31)48(41)58)43-35-20-9-21-38(34(35)26-27-39(42)43)51-55-49(32-12-3-1-4-13-32)54-50(56-51)33-14-5-2-6-15-33;57-42-26-24-36(38-20-10-28-52-47(38)42)44-34-16-7-8-17-35(34)45(37-25-27-43(58)48-39(37)21-11-29-53-48)46-33-18-9-19-40(32(33)22-23-41(44)46)51-55-49(30-12-3-1-4-13-30)54-50(56-51)31-14-5-2-6-15-31;;;;;;/h1-30,57-58H;2*1-29,57-58H;;;;;;/q;;;6*+1
InChIKeyALGUXMVPGDYGHR-UHFFFAOYSA-N
XLogP11.87
TPSA326.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002278.18
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-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-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate?
The IUPAC name of hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate (CID 157151220) is hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate?
The canonical SMILES for hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc4ccc[nH+]c4c3[O-])c3c2ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3c2ccc2c(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc([O-])c4[nH+]cccc34)c3c2ccc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)c2ccc[nH+]c12.
What is the InChIKey of hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate?
The InChIKey is ALGUXMVPGDYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O2.2C51H31N5O2.6Li/c57-45-26-24-37(39-20-10-28-53-50(39)45)47-35-16-7-8-17-36(35)48(38-25-27-46(58)51-40(38)21-11-29-54-51)49-34-18-9-19-41(33(34)22-23-42(47)49)52-55-43(31-12-3-1-4-13-31)30-44(56-52)32-14-5-2-6-15-32;57-47-40(24-22-30-16-10-28-52-45(30)47)42-36-18-7-8-19-37(36)44(41-25-23-31-17-11-29-53-46(31)48(41)58)43-35-20-9-21-38(34(35)26-27-39(42)43)51-55-49(32-12-3-1-4-13-32)54-50(56-51)33-14-5-2-6-15-33;57-42-26-24-36(38-20-10-28-52-47(38)42)44-34-16-7-8-17-35(34)45(37-25-27-43(58)48-39(37)21-11-29-53-48)46-33-18-9-19-40(32(33)22-23-41(44)46)51-55-49(30-12-3-1-4-13-30)54-50(56-51)31-14-5-2-6-15-31;;;;;;/h1-30,57-58H;2*1-29,57-58H;;;;;;/q;;;6*+1.
What are the key properties of hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate?
hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate has a molecular weight of 2278.18 g/mol, XLogP of 11.87, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;5-[4-(4,6-diphenylpyrimidin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(8-oxidoquinolin-1-ium-5-yl)benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(8-oxidoquinolin-1-ium-7-yl)benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157151220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).