potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane

C98H100BrCl4KN12O8 — CID 159783289

About potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane

potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane (PubChem CID 159783289) has the molecular formula C98H100BrCl4KN12O8 and a molecular weight of 1834.77 g/mol. Its IUPAC name is potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane.

Molecular Properties

• Compound Name: potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
• PubChem CID: 159783289
• Molecular Formula: C98H100BrCl4KN12O8
• Molecular Weight: 1834.77 g/mol
• Exact Mass: 1830.54
• IUPAC Name: potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
• SMILES: Brc1ccccc1.C.C1CCOC1.CC(C)(C)[O-].CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccccc2)c2ccc(Cl)cc12.Clc1ccc2[nH]ccc2c1.Clc1ccc2c(ccn2-c2ccccc2)c1.[K+]
• InChI: InChI=1S/C30H26ClN5O2.C17H12ClNO3.C14H10ClN.C14H20N4O.C8H6ClN.C6H5Br.C4H8O.C4H9O.CH4.K/c1-34(2)15-8-16-36-25-12-7-6-11-21(25)28(33-36)27-26(29(37)32-30(27)38)23-18-35(20-9-4-3-5-10-20)24-14-13-19(31)17-22(23)24;1-22-17(21)16(20)14-10-19(12-5-3-2-4-6-12)15-8-7-11(18)9-13(14)15;15-12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;9-7-1-2-8-6(5-7)3-4-10-8;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2,3)5;;/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,32,37,38);2-10H,1H3;1-10H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-5,10H;1-5H;1-4H2;1-3H3;1H4;/q;;;;;;;-1;;+1
• InChIKey: NHQCAXNIYRPBJP-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 237.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.77
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?

The IUPAC name of potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane (CID 159783289) is potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane.

What is the SMILES notation for potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?

The canonical SMILES for potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane is Brc1ccccc1.C.C1CCOC1.CC(C)(C)[O-].CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccccc2)c2ccc(Cl)cc12.Clc1ccc2[nH]ccc2c1.Clc1ccc2c(ccn2-c2ccccc2)c1.[K+].

What is the InChIKey of potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?

The InChIKey is NHQCAXNIYRPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2.C17H12ClNO3.C14H10ClN.C14H20N4O.C8H6ClN.C6H5Br.C4H8O.C4H9O.CH4.K/c1-34(2)15-8-16-36-25-12-7-6-11-21(25)28(33-36)27-26(29(37)32-30(27)38)23-18-35(20-9-4-3-5-10-20)24-14-13-19(31)17-22(23)24;1-22-17(21)16(20)14-10-19(12-5-3-2-4-6-12)15-8-7-11(18)9-13(14)15;15-12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;9-7-1-2-8-6(5-7)3-4-10-8;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2,3)5;;/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,32,37,38);2-10H,1H3;1-10H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-5,10H;1-5H;1-4H2;1-3H3;1H4;/q;;;;;;;-1;;+1.

What are the key properties of potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?

potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane has a molecular weight of 1834.77 g/mol, XLogP of 17.94, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methane;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 159783289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).