[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate

C115H176F5N8O8+ — CID 160514783

About [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate (PubChem CID 160514783) has the molecular formula C115H176F5N8O8+ and a molecular weight of 1893.71 g/mol. Its IUPAC name is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate.

Molecular Properties

• Compound Name: [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate
• PubChem CID: 160514783
• Molecular Formula: C115H176F5N8O8+
• Molecular Weight: 1893.71 g/mol
• Exact Mass: 1892.35
• IUPAC Name: [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate
• SMILES: CCCCCCCCNCCCCCCCC.CCCCN(CCCC)c1c(F)c(F)c(F)c(F)c1F.CCCCN(CCCC)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.O.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1
• InChI: InChI=1S/C21H16N2.C20H35NO7.C16H36N.C16H35N.C14H18F5N.C14H11N.C14H23N.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-20(8-6-4-2)14-12(18)10(16)9(15)11(17)13(14)19;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;/h1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;5-16H2,1-4H3;17H,3-16H2,1-2H3;3-8H2,1-2H3;1-9H,10H2;7-11H,3-6,12-13H2,1-2H3;1H2/q;;+1
• InChIKey: MSZMNWVDJJUEEM-UHFFFAOYSA-N
• XLogP: 27.81
• TPSA: 180.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 62
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.71
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate?

The IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate (CID 160514783) is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate.

What is the SMILES notation for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate?

The canonical SMILES for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate is CCCCCCCCNCCCCCCCC.CCCCN(CCCC)c1c(F)c(F)c(F)c(F)c1F.CCCCN(CCCC)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.O.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.

What is the InChIKey of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate?

The InChIKey is MSZMNWVDJJUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C20H35NO7.C16H36N.C16H35N.C14H18F5N.C14H11N.C14H23N.H2O/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-20(8-6-4-2)14-12(18)10(16)9(15)11(17)13(14)19;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;/h1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;5-16H2,1-4H3;17H,3-16H2,1-2H3;3-8H2,1-2H3;1-9H,10H2;7-11H,3-6,12-13H2,1-2H3;1H2/q;;+1;;;;;.

What are the key properties of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate?

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate has a molecular weight of 1893.71 g/mol, XLogP of 27.81, 62 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;N,N-dibutyl-2,3,4,5,6-pentafluoroaniline;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;hydrate is sourced from PubChem (CID 160514783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).