hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate

C150H97Li6N15O8S2+6 — CID 157340638

IUPAChexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2ccc(-c3nc4ccccc4o3)cc2)ccc2ccc[nH+]c12.[O-]c1c(-c2ccc(-c3nc4ccccc4s3)cc2)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)[nH+]c12
InChIInChI=1S/C34H22N4O.C28H19N3O.2C22H14N2O2.2C22H14N2OS.6Li/c39-30-20-19-27(28-16-9-21-35-31(28)30)26-17-18-29(25-15-8-7-14-24(25)26)34-37-32(22-10-3-1-4-11-22)36-33(38-34)23-12-5-2-6-13-23;32-26-15-7-8-19-16-17-23(29-27(19)26)20-9-6-10-21(18-20)28-30-24-13-4-5-14-25(24)31(28)22-11-2-1-3-12-22;25-19-12-11-16(17-4-3-13-23-21(17)19)14-7-9-15(10-8-14)22-24-18-5-1-2-6-20(18)26-22;25-21-17(12-11-15-4-3-13-23-20(15)21)14-7-9-16(10-8-14)22-24-18-5-1-2-6-19(18)26-22;25-19-12-11-16(17-4-3-13-23-21(17)19)14-7-9-15(10-8-14)22-24-18-5-1-2-6-20(18)26-22;25-21-17(12-11-15-4-3-13-23-20(15)21)14-7-9-16(10-8-14)22-24-18-5-1-2-6-19(18)26-22;;;;;;/h1-21,39H;1-18,32H;4*1-13,25H;;;;;;/q;;;;;;6*+1
InChIKeyBGIUJHVHJOMKRY-UHFFFAOYSA-N
MW2343.30 g/mol
LogP11.91
Rot. Bonds15

About hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate

hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate (PubChem CID 157340638) has the molecular formula C150H97Li6N15O8S2+6 and a molecular weight of 2343.30 g/mol. Its IUPAC name is hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namehexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
PubChem CID157340638
Molecular FormulaC150H97Li6N15O8S2+6
Molecular Weight2343.30 g/mol
Exact Mass2341.80
IUPAC Namehexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2ccc(-c3nc4ccccc4o3)cc2)ccc2ccc[nH+]c12.[O-]c1c(-c2ccc(-c3nc4ccccc4s3)cc2)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)[nH+]c12
InChIInChI=1S/C34H22N4O.C28H19N3O.2C22H14N2O2.2C22H14N2OS.6Li/c39-30-20-19-27(28-16-9-21-35-31(28)30)26-17-18-29(25-15-8-7-14-24(25)26)34-37-32(22-10-3-1-4-11-22)36-33(38-34)23-12-5-2-6-13-23;32-26-15-7-8-19-16-17-23(29-27(19)26)20-9-6-10-21(18-20)28-30-24-13-4-5-14-25(24)31(28)22-11-2-1-3-12-22;25-19-12-11-16(17-4-3-13-23-21(17)19)14-7-9-15(10-8-14)22-24-18-5-1-2-6-20(18)26-22;25-21-17(12-11-15-4-3-13-23-20(15)21)14-7-9-16(10-8-14)22-24-18-5-1-2-6-19(18)26-22;25-19-12-11-16(17-4-3-13-23-21(17)19)14-7-9-15(10-8-14)22-24-18-5-1-2-6-20(18)26-22;25-21-17(12-11-15-4-3-13-23-20(15)21)14-7-9-16(10-8-14)22-24-18-5-1-2-6-19(18)26-22;;;;;;/h1-21,39H;1-18,32H;4*1-13,25H;;;;;;/q;;;;;;6*+1
InChIKeyBGIUJHVHJOMKRY-UHFFFAOYSA-N
XLogP11.91
TPSA357.53 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002343.30
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
The IUPAC name of hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate (CID 157340638) is hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate.
What is the SMILES notation for hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
The canonical SMILES for hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]c1c(-c2ccc(-c3nc4ccccc4o3)cc2)ccc2ccc[nH+]c12.[O-]c1c(-c2ccc(-c3nc4ccccc4s3)cc2)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)c2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)c2ccc[nH+]c12.[O-]c1cccc2ccc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)[nH+]c12.
What is the InChIKey of hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
The InChIKey is BGIUJHVHJOMKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O.C28H19N3O.2C22H14N2O2.2C22H14N2OS.6Li/c39-30-20-19-27(28-16-9-21-35-31(28)30)26-17-18-29(25-15-8-7-14-24(25)26)34-37-32(22-10-3-1-4-11-22)36-33(38-34)23-12-5-2-6-13-23;32-26-15-7-8-19-16-17-23(29-27(19)26)20-9-6-10-21(18-20)28-30-24-13-4-5-14-25(24)31(28)22-11-2-1-3-12-22;25-19-12-11-16(17-4-3-13-23-21(17)19)14-7-9-15(10-8-14)22-24-18-5-1-2-6-20(18)26-22;25-21-17(12-11-15-4-3-13-23-20(15)21)14-7-9-16(10-8-14)22-24-18-5-1-2-6-19(18)26-22;25-19-12-11-16(17-4-3-13-23-21(17)19)14-7-9-15(10-8-14)22-24-18-5-1-2-6-20(18)26-22;25-21-17(12-11-15-4-3-13-23-20(15)21)14-7-9-16(10-8-14)22-24-18-5-1-2-6-19(18)26-22;;;;;;/h1-21,39H;1-18,32H;4*1-13,25H;;;;;;/q;;;;;;6*+1.
What are the key properties of hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?
hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate has a molecular weight of 2343.30 g/mol, XLogP of 11.91, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;5-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzothiazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;7-[4-(1,3-benzoxazol-2-yl)phenyl]quinolin-1-ium-8-olate;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate;2-[3-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157340638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).