tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate

C115H78Li4N12O4+4 — CID 157374215

IUPACtetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc2ccc[nH+]c12.[O-]c1c(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)[nH+]c12
InChIInChI=1S/C31H21N3O.3C28H19N3O.4Li/c35-30-26(17-16-22-15-8-18-32-29(22)30)24-13-7-14-25(19-24)28-20-27(21-9-3-1-4-10-21)33-31(34-28)23-11-5-2-6-12-23;32-27-22(17-16-19-9-8-18-29-26(19)27)21-12-4-5-13-23(21)28-30-24-14-6-7-15-25(24)31(28)20-10-2-1-3-11-20;32-26-16-8-9-19-17-18-23(29-27(19)26)21-12-4-5-13-22(21)28-30-24-14-6-7-15-25(24)31(28)20-10-2-1-3-11-20;32-26-17-16-21(22-13-8-18-29-27(22)26)20-11-4-5-12-23(20)28-30-24-14-6-7-15-25(24)31(28)19-9-2-1-3-10-19;;;;/h1-20,35H;3*1-18,32H;;;;/q;;;;4*+1
InChIKeyBKCZQRLLSUIGMG-UHFFFAOYSA-N
MW1719.73 g/mol
LogP10.40
Rot. Bonds13

About tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate

tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate (PubChem CID 157374215) has the molecular formula C115H78Li4N12O4+4 and a molecular weight of 1719.73 g/mol. Its IUPAC name is tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Nametetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
PubChem CID157374215
Molecular FormulaC115H78Li4N12O4+4
Molecular Weight1719.73 g/mol
Exact Mass1718.69
IUPAC Nametetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc2ccc[nH+]c12.[O-]c1c(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)[nH+]c12
InChIInChI=1S/C31H21N3O.3C28H19N3O.4Li/c35-30-26(17-16-22-15-8-18-32-29(22)30)24-13-7-14-25(19-24)28-20-27(21-9-3-1-4-10-21)33-31(34-28)23-11-5-2-6-12-23;32-27-22(17-16-19-9-8-18-29-26(19)27)21-12-4-5-13-23(21)28-30-24-14-6-7-15-25(24)31(28)20-10-2-1-3-11-20;32-26-16-8-9-19-17-18-23(29-27(19)26)21-12-4-5-13-22(21)28-30-24-14-6-7-15-25(24)31(28)20-10-2-1-3-11-20;32-26-17-16-21(22-13-8-18-29-27(22)26)20-11-4-5-12-23(20)28-30-24-14-6-7-15-25(24)31(28)19-9-2-1-3-10-19;;;;/h1-20,35H;3*1-18,32H;;;;/q;;;;4*+1
InChIKeyBKCZQRLLSUIGMG-UHFFFAOYSA-N
XLogP10.40
TPSA228.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.73
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate with MolForge

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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
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
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
Dilithium;5-[3-(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 140600469

Frequently Asked Questions

What is the IUPAC name of tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
The IUPAC name of tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate (CID 157374215) is tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate.
What is the SMILES notation for tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
The canonical SMILES for tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc2ccc[nH+]c12.[O-]c1c(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)[nH+]c12.
What is the InChIKey of tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
The InChIKey is BKCZQRLLSUIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O.3C28H19N3O.4Li/c35-30-26(17-16-22-15-8-18-32-29(22)30)24-13-7-14-25(19-24)28-20-27(21-9-3-1-4-10-21)33-31(34-28)23-11-5-2-6-12-23;32-27-22(17-16-19-9-8-18-29-26(19)27)21-12-4-5-13-23(21)28-30-24-14-6-7-15-25(24)31(28)20-10-2-1-3-11-20;32-26-16-8-9-19-17-18-23(29-27(19)26)21-12-4-5-13-22(21)28-30-24-14-6-7-15-25(24)31(28)20-10-2-1-3-11-20;32-26-17-16-21(22-13-8-18-29-27(22)26)20-11-4-5-12-23(20)28-30-24-14-6-7-15-25(24)31(28)19-9-2-1-3-10-19;;;;/h1-20,35H;3*1-18,32H;;;;/q;;;;4*+1.
What are the key properties of tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate has a molecular weight of 1719.73 g/mol, XLogP of 10.40, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-1-ium-8-olate;2-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[2-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157374215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).