N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride

C126H228Cl4N22O24Si8 — CID 159029799

About N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride

N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride (PubChem CID 159029799) has the molecular formula C126H228Cl4N22O24Si8 and a molecular weight of 2801.84 g/mol. Its IUPAC name is N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride.

Molecular Properties

• Compound Name: N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride
• PubChem CID: 159029799
• Molecular Formula: C126H228Cl4N22O24Si8
• Molecular Weight: 2801.84 g/mol
• Exact Mass: 2797.42
• IUPAC Name: N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride
• SMILES: C=CC(=O)OCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCNCCC[Si@](OC)(O[Si](CCCNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)OC)O[Si](CCCCc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)O[Si](CCCNCCC(=O)OCCCCCCCCCCC)(OC)OC.CO[Si](CCCN)(OC)O[Si](CCCCc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)O[Si@@](CCCN)(OC)O[Si](CCCNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)OC.[Cl-].[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C70H126N11O13Si4.C41H72N11O9Si4.C15H28O2.4ClH/c1-13-15-17-19-21-23-25-27-29-32-58-91-68(83)47-52-72-49-35-62-98(89-12,93-96(86-9,87-10)61-36-50-73-64-42-44-66(45-43-64)75-77-70-80(5)55-56-81(70)6)94-97(88-11,59-33-30-37-63-38-40-65(41-39-63)74-76-69-78(3)53-54-79(69)4)92-95(84-7,85-8)60-34-48-71-51-46-67(82)90-57-31-28-26-24-22-20-18-16-14-2;1-49-28-29-50(2)40(49)47-45-38-19-17-36(18-20-38)16-11-12-32-64(57-9,59-62(53-5,54-6)33-13-25-42)61-65(58-10,34-14-26-43)60-63(55-7,56-8)35-15-27-44-37-21-23-39(24-22-37)46-48-41-51(3)30-31-52(41)4;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;;;;/h38-45,53-56,71-72H,13-37,46-52,57-62H2,1-12H3;17-24,28-31H,11-16,25-27,32-35,42-43H2,1-10H3;4H,2-3,5-14H2,1H3;4*1H/q2*+1;;;;;/p-2/t97?,98-;64?,65-;;;;;/m00...../s1
• InChIKey: IRLMXPRBSLOBLP-UOGJLWFHSA-L
• XLogP: 13.33
• TPSA: 479.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 105
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2801.84
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride?

The IUPAC name of N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride (CID 159029799) is N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride.

What is the SMILES notation for N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride?

The canonical SMILES for N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride is C=CC(=O)OCCCCCCCCCCCC.CCCCCCCCCCCCOC(=O)CCNCCC[Si@](OC)(O[Si](CCCNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)OC)O[Si](CCCCc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)O[Si](CCCNCCC(=O)OCCCCCCCCCCC)(OC)OC.CO[Si](CCCN)(OC)O[Si](CCCCc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)O[Si@@](CCCN)(OC)O[Si](CCCNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1)(OC)OC.[Cl-].[Cl-].[Cl-].[Cl-].

What is the InChIKey of N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride?

The InChIKey is IRLMXPRBSLOBLP-UOGJLWFHSA-L. The full InChI is InChI=1S/C70H126N11O13Si4.C41H72N11O9Si4.C15H28O2.4ClH/c1-13-15-17-19-21-23-25-27-29-32-58-91-68(83)47-52-72-49-35-62-98(89-12,93-96(86-9,87-10)61-36-50-73-64-42-44-66(45-43-64)75-77-70-80(5)55-56-81(70)6)94-97(88-11,59-33-30-37-63-38-40-65(41-39-63)74-76-69-78(3)53-54-79(69)4)92-95(84-7,85-8)60-34-48-71-51-46-67(82)90-57-31-28-26-24-22-20-18-16-14-2;1-49-28-29-50(2)40(49)47-45-38-19-17-36(18-20-38)16-11-12-32-64(57-9,59-62(53-5,54-6)33-13-25-42)61-65(58-10,34-14-26-43)60-63(55-7,56-8)35-15-27-44-37-21-23-39(24-22-37)46-48-41-51(3)30-31-52(41)4;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;;;;/h38-45,53-56,71-72H,13-37,46-52,57-62H2,1-12H3;17-24,28-31H,11-16,25-27,32-35,42-43H2,1-10H3;4H,2-3,5-14H2,1H3;4*1H/q2*+1;;;;;/p-2/t97?,98-;64?,65-;;;;;/m00...../s1.

What are the key properties of N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride?

N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride has a molecular weight of 2801.84 g/mol, XLogP of 13.33, 105 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-aminopropyl-[[3-aminopropyl(dimethoxy)silyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline;dodecyl prop-2-enoate;undecyl 3-[3-[[[[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propyl-dimethoxysilyl]oxy-[3-[(3-dodecoxy-3-oxopropyl)amino]propyl]-methoxysilyl]oxy-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butyl]-methoxysilyl]oxy-dimethoxysilyl]propylamino]propanoate;tetrachloride is sourced from PubChem (CID 159029799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).