dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide

C108H101Br4ClCs2LiN5O23 — CID 160594887

About dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide

dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide (PubChem CID 160594887) has the molecular formula C108H101Br4ClCs2LiN5O23 and a molecular weight of 2464.83 g/mol. Its IUPAC name is dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide.

Molecular Properties

• Compound Name: dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide
• PubChem CID: 160594887
• Molecular Formula: C108H101Br4ClCs2LiN5O23
• Molecular Weight: 2464.83 g/mol
• Exact Mass: 2459.16
• IUPAC Name: dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide
• SMILES: C.CC(C)(C)OC(=O)c1cccc(CCl)c1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2n1Cc1cccc(C(=O)N(C)C)c1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2n1Cc1cccc(C(=O)O)c1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2n1Cc1cccc(C(=O)OC(C)(C)C)c1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-]
• InChI: InChI=1S/C28H26BrNO5.C26H23BrN2O4.C24H18BrNO5.C16H12BrNO3.C12H15ClO2.CH2O3.CH4.2Cs.Li.H2O.H/c1-28(2,3)35-26(31)19-10-8-9-18(13-19)17-30-24-15-21(34-20-11-6-5-7-12-20)14-23(29)22(24)16-25(30)27(32)33-4;1-28(2)25(30)18-9-7-8-17(12-18)16-29-23-14-20(33-19-10-5-4-6-11-19)13-22(27)21(23)15-24(29)26(31)32-3;1-30-24(29)22-13-19-20(25)11-18(31-17-8-3-2-4-9-17)12-21(19)26(22)14-15-6-5-7-16(10-15)23(27)28;1-20-16(19)15-9-12-13(17)7-11(8-14(12)18-15)21-10-5-3-2-4-6-10;1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13;2-1-4-3;;;;;;/h5-16H,17H2,1-4H3;4-15H,16H2,1-3H3;2-13H,14H2,1H3,(H,27,28);2-9,18H,1H3;4-7H,8H2,1-3H3;1,3H;1H4;;;;1H2;/q;;;;;;;3*+1;;-1/p-2
• InChIKey: UPMAMLHSRBOMOY-UHFFFAOYSA-L
• XLogP: 16.36
• TPSA: 362.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2464.83
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide?

The IUPAC name of dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide (CID 160594887) is dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide.

What is the SMILES notation for dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide?

The canonical SMILES for dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide is C.CC(C)(C)OC(=O)c1cccc(CCl)c1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2n1Cc1cccc(C(=O)N(C)C)c1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2n1Cc1cccc(C(=O)O)c1.COC(=O)c1cc2c(Br)cc(Oc3ccccc3)cc2n1Cc1cccc(C(=O)OC(C)(C)C)c1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].

What is the InChIKey of dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide?

The InChIKey is UPMAMLHSRBOMOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H26BrNO5.C26H23BrN2O4.C24H18BrNO5.C16H12BrNO3.C12H15ClO2.CH2O3.CH4.2Cs.Li.H2O.H/c1-28(2,3)35-26(31)19-10-8-9-18(13-19)17-30-24-15-21(34-20-11-6-5-7-12-20)14-23(29)22(24)16-25(30)27(32)33-4;1-28(2)25(30)18-9-7-8-17(12-18)16-29-23-14-20(33-19-10-5-4-6-11-19)13-22(27)21(23)15-24(29)26(31)32-3;1-30-24(29)22-13-19-20(25)11-18(31-17-8-3-2-4-9-17)12-21(19)26(22)14-15-6-5-7-16(10-15)23(27)28;1-20-16(19)15-9-12-13(17)7-11(8-14(12)18-15)21-10-5-3-2-4-6-10;1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13;2-1-4-3;;;;;;/h5-16H,17H2,1-4H3;4-15H,16H2,1-3H3;2-13H,14H2,1H3,(H,27,28);2-9,18H,1H3;4-7H,8H2,1-3H3;1,3H;1H4;;;;1H2;/q;;;;;;;3*+1;;-1/p-2.

What are the key properties of dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide?

dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide has a molecular weight of 2464.83 g/mol, XLogP of 16.36, 24 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;3-[(4-bromo-2-methoxycarbonyl-6-phenoxyindol-1-yl)methyl]benzoic acid;tert-butyl 3-(chloromethyl)benzoate;hydride;methane;methyl 4-bromo-1-[[3-(dimethylcarbamoyl)phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-1-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-phenoxyindole-2-carboxylate;methyl 4-bromo-6-phenoxy-1H-indole-2-carboxylate;oxido formate;hydroxide is sourced from PubChem (CID 160594887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).