[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

C133H151F10N8O15S2+ — CID 172952557

About [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (PubChem CID 172952557) has the molecular formula C133H151F10N8O15S2+ and a molecular weight of 2355.83 g/mol. Its IUPAC name is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

Molecular Properties

• Compound Name: [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
• PubChem CID: 172952557
• Molecular Formula: C133H151F10N8O15S2+
• Molecular Weight: 2355.83 g/mol
• Exact Mass: 2354.06
• IUPAC Name: [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
• SMILES: CC(C)c1cccc(C(C)C)c1N.CC(F)(F)C(OC(=O)c1ccccc1)C(F)(F)F.CCCCN(CCCC)c1ccccc1.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.[C-]#[N+]/C(=N/OS(=O)(=O)C(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F)c1ccc(CO)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C23H23F5N2O6S.C21H16N2.C20H35NO7.C18H15S.C14H11N.C14H23N.C12H19N.C11H9F5O2/c1-29-18(17-4-2-13(12-31)3-5-17)30-36-37(33,34)23(27,28)19(22(24,25)26)35-20(32)21-9-14-6-15(10-21)8-16(7-14)11-21;1-4-10-16(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(12,13)9(11(14,15)16)18-8(17)7-5-3-2-4-6-7/h2-5,14-16,19,31H,6-12H2;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;1-15H;1-9H,10H2;7-11H,3-6,12-13H2,1-2H3;5-9H,13H2,1-4H3;2-6,9H,1H3/q;;;+1;;;;/b30-18+
• InChIKey: QVHZIKWBFPXLJC-QMDGPLASSA-N
• XLogP: 29.66
• TPSA: 293.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 45
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.83
LogP ≤ 5	29.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (CID 172952557) is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

What is the SMILES notation for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The canonical SMILES for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is CC(C)c1cccc(C(C)C)c1N.CC(F)(F)C(OC(=O)c1ccccc1)C(F)(F)F.CCCCN(CCCC)c1ccccc1.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.[C-]#[N+]/C(=N/OS(=O)(=O)C(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F)c1ccc(CO)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The InChIKey is QVHZIKWBFPXLJC-QMDGPLASSA-N. The full InChI is InChI=1S/C23H23F5N2O6S.C21H16N2.C20H35NO7.C18H15S.C14H11N.C14H23N.C12H19N.C11H9F5O2/c1-29-18(17-4-2-13(12-31)3-5-17)30-36-37(33,34)23(27,28)19(22(24,25)26)35-20(32)21-9-14-6-15(10-21)8-16(7-14)11-21;1-4-10-16(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(12,13)9(11(14,15)16)18-8(17)7-5-3-2-4-6-7/h2-5,14-16,19,31H,6-12H2;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;1-15H;1-9H,10H2;7-11H,3-6,12-13H2,1-2H3;5-9H,13H2,1-4H3;2-6,9H,1H3/q;;;+1;;;;/b30-18+;;;;;;;.

What are the key properties of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium has a molecular weight of 2355.83 g/mol, XLogP of 29.66, 45 rotatable bonds, 5 hydrogen bond donors, and 21 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;2,6-di(propan-2-yl)aniline;1,1,1,3,3-pentafluorobutan-2-yl benzoate;[1,1,1,3,3-pentafluoro-3-[(E)-[[4-(hydroxymethyl)phenyl]-isocyanomethylidene]amino]oxysulfonylpropan-2-yl] adamantane-1-carboxylate;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is sourced from PubChem (CID 172952557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).