bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium

C74H116B3Br3ClI7N7O12Si3V- — CID 162267566

About bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium

bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium (PubChem CID 162267566) has the molecular formula C74H116B3Br3ClI7N7O12Si3V- and a molecular weight of 2626.91 g/mol. Its IUPAC name is bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium.

Molecular Properties

• Compound Name: bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium
• PubChem CID: 162267566
• Molecular Formula: C74H116B3Br3ClI7N7O12Si3V-
• Molecular Weight: 2626.91 g/mol
• Exact Mass: 2622.83
• IUPAC Name: bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium
• SMILES: Brc1ccc2[nH]ccc2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CI.C[Si](C)(C)CCOCCl.IC(I)I.ICI.O=Cc1[nH]nc2ccc(Br)cc12.O=Cc1[nH]nc2ccc(Br)cc12.[CH2-]I.[V]
• InChI: InChI=1S/C14H17BN2O3.C12H24B2O4.2C8H5BrN2O.C8H6BrN.2C7H18OSi.C6H15ClOSi.CHI3.CH2I2.CH3I.CH2I.V/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*9-5-1-2-7-6(3-5)8(4-12)11-10-7;9-7-1-2-8-6(5-7)3-4-10-8;2*1-5-8-6-7-9(2,3)4;1-9(2,3)5-4-8-6-7;2-1(3)4;2-1-3;2*1-2;/h5-8H,1-4H3,(H,16,17);1-8H3;2*1-4H,(H,10,11);1-5,10H;2*5-7H2,1-4H3;4-6H2,1-3H3;1H;1H2;1H3;1H2;/q;;;;;;;;;;;-1
• InChIKey: IJEVMJRREUIERT-UHFFFAOYSA-N
• XLogP: 25.04
• TPSA: 236.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.91
LogP ≤ 5	25.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?

The IUPAC name of bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium (CID 162267566) is bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium.

What is the SMILES notation for bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?

The canonical SMILES for bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium is Brc1ccc2[nH]ccc2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CI.C[Si](C)(C)CCOCCl.IC(I)I.ICI.O=Cc1[nH]nc2ccc(Br)cc12.O=Cc1[nH]nc2ccc(Br)cc12.[CH2-]I.[V].

What is the InChIKey of bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?

The InChIKey is IJEVMJRREUIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BN2O3.C12H24B2O4.2C8H5BrN2O.C8H6BrN.2C7H18OSi.C6H15ClOSi.CHI3.CH2I2.CH3I.CH2I.V/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*9-5-1-2-7-6(3-5)8(4-12)11-10-7;9-7-1-2-8-6(5-7)3-4-10-8;2*1-5-8-6-7-9(2,3)4;1-9(2,3)5-4-8-6-7;2-1(3)4;2-1-3;2*1-2;/h5-8H,1-4H3,(H,16,17);1-8H3;2*1-4H,(H,10,11);1-5,10H;2*5-7H2,1-4H3;4-6H2,1-3H3;1H;1H2;1H3;1H2;/q;;;;;;;;;;;-1;.

What are the key properties of bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?

bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium has a molecular weight of 2626.91 g/mol, XLogP of 25.04, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium is sourced from PubChem (CID 162267566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).