tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate

C154H96Li4N12O4+4 — CID 158388972

IUPACtetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3cc3c2ccc2c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3c2ccc2c(-c4cncnc4)cccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3c2ccc2c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3c2ccc2c(-c4cncnc4)cccc23)c2ccc[nH+]c12
InChIInChI=1S/2C46H29N3O.2C31H19N3O.4Li/c50-45-39(24-23-30-11-9-27-47-44(30)45)43-35-14-5-4-10-32(35)28-40-36-16-8-15-34(37(36)25-26-38(40)43)29-19-21-31(22-20-29)46-48-41-17-6-7-18-42(41)49(46)33-12-2-1-3-13-33;50-43-26-25-37(39-16-9-27-47-45(39)43)44-34-13-5-4-10-31(34)28-40-35-15-8-14-33(36(35)23-24-38(40)44)29-19-21-30(22-20-29)46-48-41-17-6-7-18-42(41)49(46)32-11-2-1-3-12-32;35-31-27(11-10-19-6-4-14-34-30(19)31)29-23-7-2-1-5-20(23)15-28-24-9-3-8-22(21-16-32-18-33-17-21)25(24)12-13-26(28)29;35-29-13-12-25(27-9-4-14-34-31(27)29)30-22-6-2-1-5-19(22)15-28-23-8-3-7-21(20-16-32-18-33-17-20)24(23)10-11-26(28)30;;;;/h2*1-28,50H;2*1-18,35H;;;;/q;;;;4*+1
InChIKeyGWSBVFVTERJRFZ-UHFFFAOYSA-N
MW2206.31 g/mol
LogP21.69
Rot. Bonds12

About tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate

tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate (PubChem CID 158388972) has the molecular formula C154H96Li4N12O4+4 and a molecular weight of 2206.31 g/mol. Its IUPAC name is tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate.

Molecular Properties

Compound Nametetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate
PubChem CID158388972
Molecular FormulaC154H96Li4N12O4+4
Molecular Weight2206.31 g/mol
Exact Mass2204.83
IUPAC Nametetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3cc3c2ccc2c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3c2ccc2c(-c4cncnc4)cccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3c2ccc2c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3c2ccc2c(-c4cncnc4)cccc23)c2ccc[nH+]c12
InChIInChI=1S/2C46H29N3O.2C31H19N3O.4Li/c50-45-39(24-23-30-11-9-27-47-44(30)45)43-35-14-5-4-10-32(35)28-40-36-16-8-15-34(37(36)25-26-38(40)43)29-19-21-31(22-20-29)46-48-41-17-6-7-18-42(41)49(46)33-12-2-1-3-13-33;50-43-26-25-37(39-16-9-27-47-45(39)43)44-34-13-5-4-10-31(34)28-40-35-15-8-14-33(36(35)23-24-38(40)44)29-19-21-30(22-20-29)46-48-41-17-6-7-18-42(41)49(46)32-11-2-1-3-12-32;35-31-27(11-10-19-6-4-14-34-30(19)31)29-23-7-2-1-5-20(23)15-28-24-9-3-8-22(21-16-32-18-33-17-21)25(24)12-13-26(28)29;35-29-13-12-25(27-9-4-14-34-31(27)29)30-22-6-2-1-5-19(22)15-28-23-8-3-7-21(20-16-32-18-33-17-20)24(23)10-11-26(28)30;;;;/h2*1-28,50H;2*1-18,35H;;;;/q;;;;4*+1
InChIKeyGWSBVFVTERJRFZ-UHFFFAOYSA-N
XLogP21.69
TPSA236.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002206.31
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate with MolForge

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Related Compounds

3-tert-butyl-N-[2-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-[10-(trifluoromethyl)benzo[g]quinazolin-4-yl]pyridin-2-amine;9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-2-amine;2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-tert-butyl-6-[(4-phenyl-2-pyridinyl)amino]-2-pyridinyl]benzimidazol-2-yl]phenol;platinum;platinum(2+)
CID 157080983
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
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
Lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
CID 140600455
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

Frequently Asked Questions

What is the IUPAC name of tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate?
The IUPAC name of tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate (CID 158388972) is tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate.
What is the SMILES notation for tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate?
The canonical SMILES for tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2c3ccccc3cc3c2ccc2c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cccc23)ccc2ccc[nH+]c12.[O-]c1c(-c2c3ccccc3cc3c2ccc2c(-c4cncnc4)cccc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3c2ccc2c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2c3ccccc3cc3c2ccc2c(-c4cncnc4)cccc23)c2ccc[nH+]c12.
What is the InChIKey of tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate?
The InChIKey is GWSBVFVTERJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H29N3O.2C31H19N3O.4Li/c50-45-39(24-23-30-11-9-27-47-44(30)45)43-35-14-5-4-10-32(35)28-40-36-16-8-15-34(37(36)25-26-38(40)43)29-19-21-31(22-20-29)46-48-41-17-6-7-18-42(41)49(46)33-12-2-1-3-13-33;50-43-26-25-37(39-16-9-27-47-45(39)43)44-34-13-5-4-10-31(34)28-40-35-15-8-14-33(36(35)23-24-38(40)44)29-19-21-30(22-20-29)46-48-41-17-6-7-18-42(41)49(46)32-11-2-1-3-12-32;35-31-27(11-10-19-6-4-14-34-30(19)31)29-23-7-2-1-5-20(23)15-28-24-9-3-8-22(21-16-32-18-33-17-21)25(24)12-13-26(28)29;35-29-13-12-25(27-9-4-14-34-31(27)29)30-22-6-2-1-5-19(22)15-28-23-8-3-7-21(20-16-32-18-33-17-20)24(23)10-11-26(28)30;;;;/h2*1-28,50H;2*1-18,35H;;;;/q;;;;4*+1.
What are the key properties of tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate?
tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate has a molecular weight of 2206.31 g/mol, XLogP of 21.69, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;5-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;7-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-7-yl]quinolin-1-ium-8-olate;5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate;7-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-1-ium-8-olate is sourced from PubChem (CID 158388972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).