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

C208H133Li5N17O5+5 — CID 157322061

IUPACpentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)c2ccc[nH+]c12
InChIInChI=1S/2C44H28N4O.2C42H27N3O.C36H23N3O.5Li/c49-41-37(24-23-29-15-9-25-45-40(29)41)39-36-16-8-7-14-34(36)26-35-22-21-33(27-38(35)39)28-17-19-32(20-18-28)44-47-42(30-10-3-1-4-11-30)46-43(48-44)31-12-5-2-6-13-31;49-39-24-23-36(37-16-9-25-45-41(37)39)40-35-15-8-7-14-33(35)26-34-22-21-32(27-38(34)40)28-17-19-31(20-18-28)44-47-42(29-10-3-1-4-11-29)46-43(48-44)30-12-5-2-6-13-30;46-41-35(25-24-28-11-10-26-43-40(28)41)39-33-16-6-4-14-31(33)38(32-15-5-7-17-34(32)39)27-20-22-29(23-21-27)42-44-36-18-8-9-19-37(36)45(42)30-12-2-1-3-13-30;46-38-25-24-34(35-17-10-26-43-41(35)38)40-32-15-6-4-13-30(32)39(31-14-5-7-16-33(31)40)27-20-22-28(23-21-27)42-44-36-18-8-9-19-37(36)45(42)29-11-2-1-3-12-29;40-35-29(21-20-23-11-10-22-37-34(23)35)32-25-14-4-6-16-27(25)33(28-17-7-5-15-26(28)32)36-38-30-18-8-9-19-31(30)39(36)24-12-2-1-3-13-24;;;;;/h2*1-27,49H;2*1-26,46H;1-22,40H;;;;;/q;;;;;5*+1
InChIKeyBEGZGXNQJIMXCX-UHFFFAOYSA-N
MW2985.17 g/mol
LogP30.58
Rot. Bonds21

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

pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (PubChem CID 157322061) has the molecular formula C208H133Li5N17O5+5 and a molecular weight of 2985.17 g/mol. Its IUPAC name is pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namepentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
PubChem CID157322061
Molecular FormulaC208H133Li5N17O5+5
Molecular Weight2985.17 g/mol
Exact Mass2983.14
IUPAC Namepentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)c2ccc[nH+]c12
InChIInChI=1S/2C44H28N4O.2C42H27N3O.C36H23N3O.5Li/c49-41-37(24-23-29-15-9-25-45-40(29)41)39-36-16-8-7-14-34(36)26-35-22-21-33(27-38(35)39)28-17-19-32(20-18-28)44-47-42(30-10-3-1-4-11-30)46-43(48-44)31-12-5-2-6-13-31;49-39-24-23-36(37-16-9-25-45-41(37)39)40-35-15-8-7-14-33(35)26-34-22-21-32(27-38(34)40)28-17-19-31(20-18-28)44-47-42(29-10-3-1-4-11-29)46-43(48-44)30-12-5-2-6-13-30;46-41-35(25-24-28-11-10-26-43-40(28)41)39-33-16-6-4-14-31(33)38(32-15-5-7-17-34(32)39)27-20-22-29(23-21-27)42-44-36-18-8-9-19-37(36)45(42)30-12-2-1-3-13-30;46-38-25-24-34(35-17-10-26-43-41(35)38)40-32-15-6-4-13-30(32)39(31-14-5-7-16-33(31)40)27-20-22-28(23-21-27)42-44-36-18-8-9-19-37(36)45(42)29-11-2-1-3-12-29;40-35-29(21-20-23-11-10-22-37-34(23)35)32-25-14-4-6-16-27(25)33(28-17-7-5-15-26(28)32)36-38-30-18-8-9-19-31(30)39(36)24-12-2-1-3-13-24;;;;;/h2*1-27,49H;2*1-26,46H;1-22,40H;;;;;/q;;;;;5*+1
InChIKeyBEGZGXNQJIMXCX-UHFFFAOYSA-N
XLogP30.58
TPSA316.80 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002985.17
LogP ≤ 530.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate with MolForge

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Launch Full Analysis

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
bis(dysprosium(3+));tetrakis(2-[2-(1H-imidazol-4-yl)ethyliminomethyl]quinolin-8-olate);methanol;diperchlorate
CID 139200359
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
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
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-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate
CID 140600453

Frequently Asked Questions

What is the IUPAC name of pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The IUPAC name of pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate (CID 157322061) is pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The canonical SMILES for pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3c(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc23)c2ccc[nH+]c12.
What is the InChIKey of pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
The InChIKey is BEGZGXNQJIMXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H28N4O.2C42H27N3O.C36H23N3O.5Li/c49-41-37(24-23-29-15-9-25-45-40(29)41)39-36-16-8-7-14-34(36)26-35-22-21-33(27-38(35)39)28-17-19-32(20-18-28)44-47-42(30-10-3-1-4-11-30)46-43(48-44)31-12-5-2-6-13-31;49-39-24-23-36(37-16-9-25-45-41(37)39)40-35-15-8-7-14-33(35)26-34-22-21-32(27-38(34)40)28-17-19-31(20-18-28)44-47-42(29-10-3-1-4-11-29)46-43(48-44)30-12-5-2-6-13-30;46-41-35(25-24-28-11-10-26-43-40(28)41)39-33-16-6-4-14-31(33)38(32-15-5-7-17-34(32)39)27-20-22-29(23-21-27)42-44-36-18-8-9-19-37(36)45(42)30-12-2-1-3-13-30;46-38-25-24-34(35-17-10-26-43-41(35)38)40-32-15-6-4-13-30(32)39(31-14-5-7-16-33(31)40)27-20-22-28(23-21-27)42-44-36-18-8-9-19-37(36)45(42)29-11-2-1-3-12-29;40-35-29(21-20-23-11-10-22-37-34(23)35)32-25-14-4-6-16-27(25)33(28-17-7-5-15-26(28)32)36-38-30-18-8-9-19-31(30)39(36)24-12-2-1-3-13-24;;;;;/h2*1-27,49H;2*1-26,46H;1-22,40H;;;;;/q;;;;;5*+1.
What are the key properties of pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate?
pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate has a molecular weight of 2985.17 g/mol, XLogP of 30.58, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for pentalithium;5-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium-8-olate;5-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate;7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157322061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).