benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine

C110H110BBr3N16O5Si2 — CID 158007135

About benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine

benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine (PubChem CID 158007135) has the molecular formula C110H110BBr3N16O5Si2 and a molecular weight of 2042.89 g/mol. Its IUPAC name is benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine.

Molecular Properties

• Compound Name: benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine
• PubChem CID: 158007135
• Molecular Formula: C110H110BBr3N16O5Si2
• Molecular Weight: 2042.89 g/mol
• Exact Mass: 2038.60
• IUPAC Name: benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine
• SMILES: Brc1cncc2c(NCc3ccccc3)cccc12.Brc1cncc2c(NCc3ccccc3)cccc12.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c(NCc5ccccc5)cccc34)ccc21.Nc1cccc2c(Br)cncc12.O=Cc1ccccc1
• InChI: InChI=1S/C36H36N6OSi.C26H35BN4O3Si.2C16H13BrN2.C9H7BrN2.C7H6O/c1-44(2,3)19-18-43-24-42-34-17-16-26(20-28(34)35(41-42)36-39-32-13-7-8-14-33(32)40-36)29-22-37-23-30-27(29)12-9-15-31(30)38-21-25-10-5-4-6-11-25;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*17-15-11-18-10-14-13(15)7-4-8-16(14)19-9-12-5-2-1-3-6-12;10-8-5-12-4-7-6(8)2-1-3-9(7)11;8-6-7-4-2-1-3-5-7/h4-17,20,22-23,38H,18-19,21,24H2,1-3H3,(H,39,40);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*1-8,10-11,19H,9H2;1-5H,11H2;1-6H
• InChIKey: FEKVZRKPSJAMRV-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 260.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2042.89
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine?

The IUPAC name of benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine (CID 158007135) is benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine.

What is the SMILES notation for benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine?

The canonical SMILES for benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine is Brc1cncc2c(NCc3ccccc3)cccc12.Brc1cncc2c(NCc3ccccc3)cccc12.CC1(C)OB(c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c(NCc5ccccc5)cccc34)ccc21.Nc1cccc2c(Br)cncc12.O=Cc1ccccc1.

What is the InChIKey of benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine?

The InChIKey is FEKVZRKPSJAMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6OSi.C26H35BN4O3Si.2C16H13BrN2.C9H7BrN2.C7H6O/c1-44(2,3)19-18-43-24-42-34-17-16-26(20-28(34)35(41-42)36-39-32-13-7-8-14-33(32)40-36)29-22-37-23-30-27(29)12-9-15-31(30)38-21-25-10-5-4-6-11-25;1-25(2)26(3,4)34-27(33-25)18-12-13-22-19(16-18)23(24-28-20-10-8-9-11-21(20)29-24)30-31(22)17-32-14-15-35(5,6)7;2*17-15-11-18-10-14-13(15)7-4-8-16(14)19-9-12-5-2-1-3-6-12;10-8-5-12-4-7-6(8)2-1-3-9(7)11;8-6-7-4-2-1-3-5-7/h4-17,20,22-23,38H,18-19,21,24H2,1-3H3,(H,39,40);8-13,16H,14-15,17H2,1-7H3,(H,28,29);2*1-8,10-11,19H,9H2;1-5H,11H2;1-6H.

What are the key properties of benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine?

benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine has a molecular weight of 2042.89 g/mol, XLogP of 27.21, 24 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzaldehyde;2-[[3-(1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-N-benzylisoquinolin-8-amine;bis(N-benzyl-4-bromoisoquinolin-8-amine);4-bromoisoquinolin-8-amine is sourced from PubChem (CID 158007135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).