3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid

C101H111BI5N13O5Si3 — CID 158333818

About 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid

3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid (PubChem CID 158333818) has the molecular formula C101H111BI5N13O5Si3 and a molecular weight of 2316.67 g/mol. Its IUPAC name is 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid.

Molecular Properties

• Compound Name: 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid
• PubChem CID: 158333818
• Molecular Formula: C101H111BI5N13O5Si3
• Molecular Weight: 2316.67 g/mol
• Exact Mass: 2315.35
• IUPAC Name: 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid
• SMILES: C(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.CCOCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.C[Si](C)(C)CCOCn1nc(I)c2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1
• InChI: InChI=1S/C29H32N2OSi.C23H18N2.C13H18I2N2OSi.C8H9BO2.C7H4I2N2.C7H5IN2.C7H7N3.C7H18OSi/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25;1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19;1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17;10-9(11)7-6-8-4-2-1-3-5-8;8-4-1-2-6-5(3-4)7(9)11-10-6;2*8-6-1-2-7-5(3-6)4-9-10-7;1-5-8-6-7-9(2,3)4/h4-19,22H,20-21,23H2,1-3H3;1-17H,(H,24,25);4-5,8H,6-7,9H2,1-3H3;1-7,10-11H;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);5-7H2,1-4H3/b15-14+,18-16+;12-11+,15-13+;;7-6+
• InChIKey: GQIKCXJPMQUMKB-RJFLKOGTSA-N
• XLogP: 27.31
• TPSA: 244.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.67
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid?

The IUPAC name of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid (CID 158333818) is 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid.

What is the SMILES notation for 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid?

The canonical SMILES for 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid is C(=C/c1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)\c1ccccc1.CCOCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(/C=C/c3ccccc3)ccc21.C[Si](C)(C)CCOCn1nc(I)c2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Ic1ccc2n[nH]c(I)c2c1.Nc1ccc2[nH]ncc2c1.OB(O)/C=C/c1ccccc1.

What is the InChIKey of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid?

The InChIKey is GQIKCXJPMQUMKB-RJFLKOGTSA-N. The full InChI is InChI=1S/C29H32N2OSi.C23H18N2.C13H18I2N2OSi.C8H9BO2.C7H4I2N2.C7H5IN2.C7H7N3.C7H18OSi/c1-33(2,3)21-20-32-23-31-29-19-17-26(15-14-24-10-6-4-7-11-24)22-27(29)28(30-31)18-16-25-12-8-5-9-13-25;1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19;1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17;10-9(11)7-6-8-4-2-1-3-5-8;8-4-1-2-6-5(3-4)7(9)11-10-6;2*8-6-1-2-7-5(3-6)4-9-10-7;1-5-8-6-7-9(2,3)4/h4-19,22H,20-21,23H2,1-3H3;1-17H,(H,24,25);4-5,8H,6-7,9H2,1-3H3;1-7,10-11H;1-3H,(H,10,11);1-4H,(H,9,10);1-4H,8H2,(H,9,10);5-7H2,1-4H3/b15-14+,18-16+;12-11+,15-13+;;7-6+;;;;.

What are the key properties of 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid?

3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid has a molecular weight of 2316.67 g/mol, XLogP of 27.31, 24 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis[(E)-2-phenylethenyl]-2H-indazole;2-[[3,5-bis[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3,5-diiodo-2H-indazole;2-[(3,5-diiodoindazol-1-yl)methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1H-indazol-5-amine;5-iodo-1H-indazole;[(E)-2-phenylethenyl]boronic acid is sourced from PubChem (CID 158333818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).