3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate

C80H91BrN8O9Si2 — CID 158680072

About 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate

3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate (PubChem CID 158680072) has the molecular formula C80H91BrN8O9Si2 and a molecular weight of 1444.73 g/mol. Its IUPAC name is 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate.

Molecular Properties

• Compound Name: 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate
• PubChem CID: 158680072
• Molecular Formula: C80H91BrN8O9Si2
• Molecular Weight: 1444.73 g/mol
• Exact Mass: 1442.56
• IUPAC Name: 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate
• SMILES: CC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ccccc12.[H]/N=C(/C1=C(c2cn(-c3ccc4ccccc4c3)c3ccccc23)C(=O)NC1=O)c1ccccc1NCCCO
• InChI: InChI=1S/C32H26N4O3.C21H15NO3.C18H29N3O2Si.C9H21BrOSi/c33-30(24-11-3-5-12-26(24)34-16-7-17-37)29-28(31(38)35-32(29)39)25-19-36(27-13-6-4-10-23(25)27)22-15-14-20-8-1-2-9-21(20)18-22;1-25-21(24)20(23)18-13-22(19-9-5-4-8-17(18)19)16-11-10-14-6-2-3-7-15(14)12-16;1-18(2,3)24(4,5)23-12-8-11-21-16-10-7-6-9-14(16)15(20-21)13-17(19)22;1-9(2,3)12(4,5)11-8-6-7-10/h1-6,8-15,18-19,33-34,37H,7,16-17H2,(H,35,38,39);2-13H,1H3;6-7,9-10H,8,11-13H2,1-5H3,(H2,19,22);6-8H2,1-5H3/b33-30+
• InChIKey: IEZUKPUKBORVGQ-RTIWRLCRSA-N
• XLogP: 16.46
• TPSA: 234.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1444.73
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate?

The IUPAC name of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate (CID 158680072) is 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate.

What is the SMILES notation for 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate?

The canonical SMILES for 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate is CC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ccccc12.[H]/N=C(/C1=C(c2cn(-c3ccc4ccccc4c3)c3ccccc23)C(=O)NC1=O)c1ccccc1NCCCO.

What is the InChIKey of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate?

The InChIKey is IEZUKPUKBORVGQ-RTIWRLCRSA-N. The full InChI is InChI=1S/C32H26N4O3.C21H15NO3.C18H29N3O2Si.C9H21BrOSi/c33-30(24-11-3-5-12-26(24)34-16-7-17-37)29-28(31(38)35-32(29)39)25-19-36(27-13-6-4-10-23(25)27)22-15-14-20-8-1-2-9-21(20)18-22;1-25-21(24)20(23)18-13-22(19-9-5-4-8-17(18)19)16-11-10-14-6-2-3-7-15(14)12-16;1-18(2,3)24(4,5)23-12-8-11-21-16-10-7-6-9-14(16)15(20-21)13-17(19)22;1-9(2,3)12(4,5)11-8-6-7-10/h1-6,8-15,18-19,33-34,37H,7,16-17H2,(H,35,38,39);2-13H,1H3;6-7,9-10H,8,11-13H2,1-5H3,(H2,19,22);6-8H2,1-5H3/b33-30+;;;.

What are the key properties of 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate?

3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate has a molecular weight of 1444.73 g/mol, XLogP of 16.46, 22 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate is sourced from PubChem (CID 158680072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).