lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide

C58H55Cl2LiN6O7S — CID 158460955

About lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide

lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide (PubChem CID 158460955) has the molecular formula C58H55Cl2LiN6O7S and a molecular weight of 1058.03 g/mol. Its IUPAC name is lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide.

Molecular Properties

• Compound Name: lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide
• PubChem CID: 158460955
• Molecular Formula: C58H55Cl2LiN6O7S
• Molecular Weight: 1058.03 g/mol
• Exact Mass: 1056.34
• IUPAC Name: lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide
• SMILES: C.CC(C)c1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CCOC(=O)c1[nH]c(-c2cccc3[nH]ccc23)c(C(C)C)c1-c1c(Cl)ccc2c1ccn2S(=O)(=O)c1ccc(C)cc1.[Li+].[OH-]
• InChI: InChI=1S/C33H30ClN3O4S.C24H20ClN3O2.CH4.Li.H2O/c1-5-41-33(38)32-30(28(19(2)3)31(36-32)23-7-6-8-26-22(23)15-17-35-26)29-24-16-18-37(27(24)14-13-25(29)34)42(39,40)21-11-9-20(4)10-12-21;1-12(2)19-21(20-15-9-11-27-18(15)7-6-16(20)25)23(24(29)30)28-22(19)14-4-3-5-17-13(14)8-10-26-17;;;/h6-19,35-36H,5H2,1-4H3;3-12,26-28H,1-2H3,(H,29,30);1H4;;1H2/q;;;+1;/p-1
• InChIKey: HFDXGEQFNAUQTC-UHFFFAOYSA-M
• XLogP: 12.53
• TPSA: 211.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.03
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide?

The IUPAC name of lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide (CID 158460955) is lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide.

What is the SMILES notation for lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide?

The canonical SMILES for lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide is C.CC(C)c1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CCOC(=O)c1[nH]c(-c2cccc3[nH]ccc23)c(C(C)C)c1-c1c(Cl)ccc2c1ccn2S(=O)(=O)c1ccc(C)cc1.[Li+].[OH-].

What is the InChIKey of lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide?

The InChIKey is HFDXGEQFNAUQTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H30ClN3O4S.C24H20ClN3O2.CH4.Li.H2O/c1-5-41-33(38)32-30(28(19(2)3)31(36-32)23-7-6-8-26-22(23)15-17-35-26)29-24-16-18-37(27(24)14-13-25(29)34)42(39,40)21-11-9-20(4)10-12-21;1-12(2)19-21(20-15-9-11-27-18(15)7-6-16(20)25)23(24(29)30)28-22(19)14-4-3-5-17-13(14)8-10-26-17;;;/h6-19,35-36H,5H2,1-4H3;3-12,26-28H,1-2H3,(H,29,30);1H4;;1H2/q;;;+1;/p-1.

What are the key properties of lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide?

lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide has a molecular weight of 1058.03 g/mol, XLogP of 12.53, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide is sourced from PubChem (CID 158460955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).