lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide

C118H103BBr3Cl4ILiN9O20S5 — CID 159543283

About lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide

lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide (PubChem CID 159543283) has the molecular formula C118H103BBr3Cl4ILiN9O20S5 and a molecular weight of 2653.68 g/mol. Its IUPAC name is lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide.

Molecular Properties

• Compound Name: lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide
• PubChem CID: 159543283
• Molecular Formula: C118H103BBr3Cl4ILiN9O20S5
• Molecular Weight: 2653.68 g/mol
• Exact Mass: 2647.15
• IUPAC Name: lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide
• SMILES: BrB(Br)Br.C.COc1ccc2[nH]cc(C(=O)c3c[nH]c4ccccc34)c2c1.COc1ccc2c(c1)c(C(=O)c1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)cn2S(=O)(=O)c1ccc(C)cc1.COc1ccc2c(c1)c(C(O)c1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)cn2S(=O)(=O)c1ccc(C)cc1.COc1ccc2c(c1)c(I)cn2S(=O)(=O)c1ccc(C)cc1.ClCCl.ClCCl.O=C(c1c[nH]c2ccccc12)c1c[nH]c2ccc(O)cc12.[Li+].[OH-]
• InChI: InChI=1S/C32H28N2O6S2.C32H26N2O6S2.C18H14N2O2.C17H12N2O2.C16H14INO3S.2CH2Cl2.CH4.BBr3.Li.H2O/c2*1-21-8-13-24(14-9-21)41(36,37)33-19-28(26-6-4-5-7-30(26)33)32(35)29-20-34(31-17-12-23(40-3)18-27(29)31)42(38,39)25-15-10-22(2)11-16-25;1-22-11-6-7-17-13(8-11)15(10-20-17)18(21)14-9-19-16-5-3-2-4-12(14)16;20-10-5-6-16-12(7-10)14(9-19-16)17(21)13-8-18-15-4-2-1-3-11(13)15;1-11-3-6-13(7-4-11)22(19,20)18-10-15(17)14-9-12(21-2)5-8-16(14)18;2*2-1-3;;2-1(3)4;;/h4-20,32,35H,1-3H3;4-20H,1-3H3;2-10,19-20H,1H3;1-9,18-20H;3-10H,1-2H3;2*1H2;1H4;;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: MEMGRIFZXCALQI-UHFFFAOYSA-M
• XLogP: 25.44
• TPSA: 417.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.68
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide?

The IUPAC name of lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide (CID 159543283) is lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide.

What is the SMILES notation for lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide?

The canonical SMILES for lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide is BrB(Br)Br.C.COc1ccc2[nH]cc(C(=O)c3c[nH]c4ccccc34)c2c1.COc1ccc2c(c1)c(C(=O)c1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)cn2S(=O)(=O)c1ccc(C)cc1.COc1ccc2c(c1)c(C(O)c1cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc13)cn2S(=O)(=O)c1ccc(C)cc1.COc1ccc2c(c1)c(I)cn2S(=O)(=O)c1ccc(C)cc1.ClCCl.ClCCl.O=C(c1c[nH]c2ccccc12)c1c[nH]c2ccc(O)cc12.[Li+].[OH-].

What is the InChIKey of lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide?

The InChIKey is MEMGRIFZXCALQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H28N2O6S2.C32H26N2O6S2.C18H14N2O2.C17H12N2O2.C16H14INO3S.2CH2Cl2.CH4.BBr3.Li.H2O/c2*1-21-8-13-24(14-9-21)41(36,37)33-19-28(26-6-4-5-7-30(26)33)32(35)29-20-34(31-17-12-23(40-3)18-27(29)31)42(38,39)25-15-10-22(2)11-16-25;1-22-11-6-7-17-13(8-11)15(10-20-17)18(21)14-9-19-16-5-3-2-4-12(14)16;20-10-5-6-16-12(7-10)14(9-19-16)17(21)13-8-18-15-4-2-1-3-11(13)15;1-11-3-6-13(7-4-11)22(19,20)18-10-15(17)14-9-12(21-2)5-8-16(14)18;2*2-1-3;;2-1(3)4;;/h4-20,32,35H,1-3H3;4-20H,1-3H3;2-10,19-20H,1H3;1-9,18-20H;3-10H,1-2H3;2*1H2;1H4;;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide?

lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide has a molecular weight of 2653.68 g/mol, XLogP of 25.44, 22 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide is sourced from PubChem (CID 159543283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).