dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide

C145H155F15Li2N12O25S6 — CID 159122819

About dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide

dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide (PubChem CID 159122819) has the molecular formula C145H155F15Li2N12O25S6 and a molecular weight of 2957.15 g/mol. Its IUPAC name is dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide.

Molecular Properties

• Compound Name: dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide
• PubChem CID: 159122819
• Molecular Formula: C145H155F15Li2N12O25S6
• Molecular Weight: 2957.15 g/mol
• Exact Mass: 2954.96
• IUPAC Name: dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide
• SMILES: C.CC#N.CC(=O)O.COC(=O)COc1ccc2c(ccn2CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1.COCC(=O)O.COCC(=O)OC.COCC(=O)OC.COCC(=O)OC.Cc1ccc(S(=O)(=O)OCCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCN1CCc2ccccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCN1CCc2ccccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCn1ccc2cc(OCC(=O)O)ccc21.[Li+].[Li+].[OH-].[OH-].c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2
• InChI: InChI=1S/C24H21F3N2O3S.C23H19F3N2O3S.2C21H19F3N2S.C20H18F3NO3S2.C8H9N.C8H7N.3C4H8O3.C3H6O3.C2H3N.C2H4O2.CH4.2Li.2H2O/c1-15-21(33-23(28-15)16-3-5-18(6-4-16)24(25,26)27)10-12-29-11-9-17-13-19(7-8-20(17)29)32-14-22(30)31-2;1-14-20(32-22(27-14)15-2-4-17(5-3-15)23(24,25)26)9-11-28-10-8-16-12-18(6-7-19(16)28)31-13-21(29)30;2*1-14-19(11-13-26-12-10-15-4-2-3-5-18(15)26)27-20(25-14)16-6-8-17(9-7-16)21(22,23)24;1-13-3-9-17(10-4-13)29(25,26)27-12-11-18-14(2)24-19(28-18)15-5-7-16(8-6-15)20(21,22)23;2*1-2-4-8-7(3-1)5-6-9-8;3*1-6-3-4(5)7-2;1-6-2-3(4)5;1-2-3;1-2(3)4;;;;;/h3-9,11,13H,10,12,14H2,1-2H3;2-8,10,12H,9,11,13H2,1H3,(H,29,30);2*2-9H,10-13H2,1H3;3-10H,11-12H2,1-2H3;1-4,9H,5-6H2;1-6,9H;3*3H2,1-2H3;2H2,1H3,(H,4,5);1H3;1H3,(H,3,4);1H4;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2
• InChIKey: GBNATRLEWFOYLH-UHFFFAOYSA-L
• XLogP: 26.43
• TPSA: 508.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2957.15
LogP ≤ 5	26.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide?

The IUPAC name of dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide (CID 159122819) is dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide.

What is the SMILES notation for dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide?

The canonical SMILES for dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide is C.CC#N.CC(=O)O.COC(=O)COc1ccc2c(ccn2CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1.COCC(=O)O.COCC(=O)OC.COCC(=O)OC.COCC(=O)OC.Cc1ccc(S(=O)(=O)OCCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCN1CCc2ccccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCN1CCc2ccccc21.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCn1ccc2cc(OCC(=O)O)ccc21.[Li+].[Li+].[OH-].[OH-].c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCN2.

What is the InChIKey of dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide?

The InChIKey is GBNATRLEWFOYLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H21F3N2O3S.C23H19F3N2O3S.2C21H19F3N2S.C20H18F3NO3S2.C8H9N.C8H7N.3C4H8O3.C3H6O3.C2H3N.C2H4O2.CH4.2Li.2H2O/c1-15-21(33-23(28-15)16-3-5-18(6-4-16)24(25,26)27)10-12-29-11-9-17-13-19(7-8-20(17)29)32-14-22(30)31-2;1-14-20(32-22(27-14)15-2-4-17(5-3-15)23(24,25)26)9-11-28-10-8-16-12-18(6-7-19(16)28)31-13-21(29)30;2*1-14-19(11-13-26-12-10-15-4-2-3-5-18(15)26)27-20(25-14)16-6-8-17(9-7-16)21(22,23)24;1-13-3-9-17(10-4-13)29(25,26)27-12-11-18-14(2)24-19(28-18)15-5-7-16(8-6-15)20(21,22)23;2*1-2-4-8-7(3-1)5-6-9-8;3*1-6-3-4(5)7-2;1-6-2-3(4)5;1-2-3;1-2(3)4;;;;;/h3-9,11,13H,10,12,14H2,1-2H3;2-8,10,12H,9,11,13H2,1H3,(H,29,30);2*2-9H,10-13H2,1H3;3-10H,11-12H2,1-2H3;1-4,9H,5-6H2;1-6,9H;3*3H2,1-2H3;2H2,1H3,(H,4,5);1H3;1H3,(H,3,4);1H4;;;2*1H2/q;;;;;;;;;;;;;;2*+1;;/p-2.

What are the key properties of dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide?

dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide has a molecular weight of 2957.15 g/mol, XLogP of 26.43, 36 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;acetic acid;acetonitrile;2,3-dihydro-1H-indole;bis(5-[2-(2,3-dihydroindol-1-yl)ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole);1H-indole;methane;2-methoxyacetic acid;tris(methyl 2-methoxyacetate);methyl 2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetate;2-[1-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]indol-5-yl]oxyacetic acid;2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl 4-methylbenzenesulfonate;dihydroxide is sourced from PubChem (CID 159122819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).