2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

C100H131N9O16S4 — CID 160663957

About 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (PubChem CID 160663957) has the molecular formula C100H131N9O16S4 and a molecular weight of 1843.46 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

Molecular Properties

• Compound Name: 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
• PubChem CID: 160663957
• Molecular Formula: C100H131N9O16S4
• Molecular Weight: 1843.46 g/mol
• Exact Mass: 1841.86
• IUPAC Name: 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
• SMILES: CC(C)c1cccc(C(C)C)c1N.CCC(C)(C)OC(=O)N1CCC(O)CC1.COCCCN(CCOCCO)CCOCCO.CS(=O)(=O)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCOC2=O)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H16N2.C18H15S.C14H11N.C12H22N3O8S3.C12H27NO5.C12H19N.C11H21NO3/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;1-4-10-16(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;1-24(17,18)13-25(19,20)9-2-10-26(21,22)15-6-4-14(5-7-15)11-3-8-23-12(11)16;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);1-15H;1-9H,10H2;11H,2-10H2,1H3;14-15H,2-12H2,1H3;5-9H,13H2,1-4H3;9,13H,4-8H2,1-3H3/q;+1;;-1
• InChIKey: RMATYXNQRCXSDS-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 337.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.46
LogP ≤ 5	16.49
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': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The IUPAC name of 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (CID 160663957) is 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

What is the SMILES notation for 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The canonical SMILES for 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is CC(C)c1cccc(C(C)C)c1N.CCC(C)(C)OC(=O)N1CCC(O)CC1.COCCCN(CCOCCO)CCOCCO.CS(=O)(=O)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCOC2=O)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

The InChIKey is RMATYXNQRCXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C18H15S.C14H11N.C12H22N3O8S3.C12H27NO5.C12H19N.C11H21NO3/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;1-4-10-16(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;1-24(17,18)13-25(19,20)9-2-10-26(21,22)15-6-4-14(5-7-15)11-3-8-23-12(11)16;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);1-15H;1-9H,10H2;11H,2-10H2,1H3;14-15H,2-12H2,1H3;5-9H,13H2,1-4H3;9,13H,4-8H2,1-3H3/q;+1;;-1;;;.

What are the key properties of 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?

2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium has a molecular weight of 1843.46 g/mol, XLogP of 16.49, 33 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is sourced from PubChem (CID 160663957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).