lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide

C124H116Br6F3LiN8O14 — CID 157443542

About lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide

lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide (PubChem CID 157443542) has the molecular formula C124H116Br6F3LiN8O14 and a molecular weight of 2485.69 g/mol. Its IUPAC name is lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide.

Molecular Properties

• Compound Name: lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide
• PubChem CID: 157443542
• Molecular Formula: C124H116Br6F3LiN8O14
• Molecular Weight: 2485.69 g/mol
• Exact Mass: 2478.38
• IUPAC Name: lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide
• SMILES: CN(C)CCN.COC(=O)c1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C)c1.COC(=O)c1cccc(C(=O)CCC(=O)c2ccc(Br)cc2)c1.COC(=O)c1cccc(C(C)=O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)NCCN(C)C)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)O)c1.Nc1ccccc1C(F)(F)F.O=C(CBr)c1ccc(Br)cc1.[Li+].[OH-]
• InChI: InChI=1S/C28H28BrN3O.C25H20BrNO2.C24H18BrNO2.C18H15BrO4.C10H10O3.C8H6Br2O.C7H6F3N.C4H12N2.Li.H2O/c1-20-7-4-5-10-25(20)32-26(21-11-13-24(29)14-12-21)15-16-27(32)22-8-6-9-23(19-22)28(33)30-17-18-31(2)3;1-17-6-3-4-9-22(17)27-23(18-10-12-21(26)13-11-18)14-15-24(27)19-7-5-8-20(16-19)25(28)29-2;1-16-5-2-3-8-21(16)26-22(17-9-11-20(25)12-10-17)13-14-23(26)18-6-4-7-19(15-18)24(27)28;1-23-18(22)14-4-2-3-13(11-14)17(21)10-9-16(20)12-5-7-15(19)8-6-12;1-7(11)8-4-3-5-9(6-8)10(12)13-2;9-5-8(11)6-1-3-7(10)4-2-6;8-7(9,10)5-3-1-2-4-6(5)11;1-6(2)4-3-5;;/h4-16,19H,17-18H2,1-3H3,(H,30,33);3-16H,1-2H3;2-15H,1H3,(H,27,28);2-8,11H,9-10H2,1H3;3-6H,1-2H3;1-4H,5H2;1-4H,11H2;3-5H2,1-2H3;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: BRYNOEPRNNYLNH-UHFFFAOYSA-M
• XLogP: 26.83
• TPSA: 316.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.69
LogP ≤ 5	26.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide?

The IUPAC name of lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide (CID 157443542) is lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide.

What is the SMILES notation for lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide?

The canonical SMILES for lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide is CN(C)CCN.COC(=O)c1cccc(-c2ccc(-c3ccc(Br)cc3)n2-c2ccccc2C)c1.COC(=O)c1cccc(C(=O)CCC(=O)c2ccc(Br)cc2)c1.COC(=O)c1cccc(C(C)=O)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)NCCN(C)C)c1.Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(C(=O)O)c1.Nc1ccccc1C(F)(F)F.O=C(CBr)c1ccc(Br)cc1.[Li+].[OH-].

What is the InChIKey of lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide?

The InChIKey is BRYNOEPRNNYLNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28BrN3O.C25H20BrNO2.C24H18BrNO2.C18H15BrO4.C10H10O3.C8H6Br2O.C7H6F3N.C4H12N2.Li.H2O/c1-20-7-4-5-10-25(20)32-26(21-11-13-24(29)14-12-21)15-16-27(32)22-8-6-9-23(19-22)28(33)30-17-18-31(2)3;1-17-6-3-4-9-22(17)27-23(18-10-12-21(26)13-11-18)14-15-24(27)19-7-5-8-20(16-19)25(28)29-2;1-16-5-2-3-8-21(16)26-22(17-9-11-20(25)12-10-17)13-14-23(26)18-6-4-7-19(15-18)24(27)28;1-23-18(22)14-4-2-3-13(11-14)17(21)10-9-16(20)12-5-7-15(19)8-6-12;1-7(11)8-4-3-5-9(6-8)10(12)13-2;9-5-8(11)6-1-3-7(10)4-2-6;8-7(9,10)5-3-1-2-4-6(5)11;1-6(2)4-3-5;;/h4-16,19H,17-18H2,1-3H3,(H,30,33);3-16H,1-2H3;2-15H,1H3,(H,27,28);2-8,11H,9-10H2,1H3;3-6H,1-2H3;1-4H,5H2;1-4H,11H2;3-5H2,1-2H3;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide?

lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide has a molecular weight of 2485.69 g/mol, XLogP of 26.83, 27 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide is sourced from PubChem (CID 157443542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).