tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C83H100F9N9O12Si2 — CID 176528319

IUPACtris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.Cc1cccc(O)c1.Cc1cccc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.FC(F)(F)c1cnc(-c2ccc(C3CCC(COc4ccccc4)CC3)nc2)[nH]1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C29H38F3N3O2Si.C22H32F3N3O2Si.C22H22F3N3O.C7H8O.3CO2/c1-21-6-5-7-25(16-21)37-19-22-8-10-23(11-9-22)26-13-12-24(17-33-26)28-34-27(29(30,31)32)18-35(28)20-36-14-15-38(2,3)4;1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;23-22(24,25)20-13-27-21(28-20)17-10-11-19(26-12-17)16-8-6-15(7-9-16)14-29-18-4-2-1-3-5-18;1-6-3-2-4-7(8)5-6;3*2-1-3/h5-7,12-13,16-18,22-23H,8-11,14-15,19-20H2,1-4H3;8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;1-5,10-13,15-16H,6-9,14H2,(H,27,28);2-5,8H,1H3;;;
InChIKeyWLHGZTCBWGTLMX-UHFFFAOYSA-N
MW1642.92 g/mol
LogP19.27
Rot. Bonds23

About tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 176528319) has the molecular formula C83H100F9N9O12Si2 and a molecular weight of 1642.92 g/mol. Its IUPAC name is tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID176528319
Molecular FormulaC83H100F9N9O12Si2
Molecular Weight1642.92 g/mol
Exact Mass1641.69
IUPAC Nametris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.Cc1cccc(O)c1.Cc1cccc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.FC(F)(F)c1cnc(-c2ccc(C3CCC(COc4ccccc4)CC3)nc2)[nH]1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C29H38F3N3O2Si.C22H32F3N3O2Si.C22H22F3N3O.C7H8O.3CO2/c1-21-6-5-7-25(16-21)37-19-22-8-10-23(11-9-22)26-13-12-24(17-33-26)28-34-27(29(30,31)32)18-35(28)20-36-14-15-38(2,3)4;1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;23-22(24,25)20-13-27-21(28-20)17-10-11-19(26-12-17)16-8-6-15(7-9-16)14-29-18-4-2-1-3-5-18;1-6-3-2-4-7(8)5-6;3*2-1-3/h5-7,12-13,16-18,22-23H,8-11,14-15,19-20H2,1-4H3;8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;1-5,10-13,15-16H,6-9,14H2,(H,27,28);2-5,8H,1H3;;;
InChIKeyWLHGZTCBWGTLMX-UHFFFAOYSA-N
XLogP19.27
TPSA282.79 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.92
LogP ≤ 519.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol
CID 91480465
2-Methyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(3-methyl-4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 157187670
methyl 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoate
CID 157453866
3-[[5-[3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[3-fluoro-4-[5-(trifluoromethyl)-3-(2-trimethylsilylethoxymethyl)-1H-imidazol-3-ium-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
CID 157619092
2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tetrakis(carbon dioxide);4-[(3-methylphenoxy)methyl]piperidine;2-[4-(phenoxymethyl)piperidin-1-yl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;2,2,2-trifluoroacetaldehyde;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[2-[6-[4-(phenoxymethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 157822186
4-tert-butyl-4-(methoxymethyl)cyclohexan-1-ol;2-[[2-[6-[4-[4-tert-butyl-4-(methoxymethyl)cyclohexyl]oxyphenyl]-3-pyridinyl]-4-methyl-5-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[6-[4-[4-tert-butyl-4-(methoxymethyl)cyclohexyl]oxyphenyl]-3-pyridinyl]-5-methyl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;tetrakis(carbon dioxide);2-[4-[4-(methoxymethyl)cyclohexyl]oxyphenyl]-5-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;4-[5-[4-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;4-[5-[5-methyl-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol
CID 157979312
2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]phenoxy]propanoic acid
CID 158060264
4-[5-[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenol;trimethyl-[2-[[2-[6-(4-phenylmethoxyphenyl)-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
CID 158079523
2-ethyl-2-[[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]butanoic acid;methyl 2-ethyl-2-[[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]butanoate
CID 158119716
2,2-dimethyl-3-[[5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid;2,2-dimethyl-3-[[5-[4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-2-pyridinyl]oxy]propanoic acid
CID 158288087
3-[4-[5-[5-(cyclohexatrienyl)-4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid;2,2-dimethyl-3-[4-[5-[4-phenyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid
CID 158306362
3-[3-ethyl-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;methyl 3-[3-ethyl-4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate
CID 158671586

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 176528319) is tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.Cc1cccc(O)c1.Cc1cccc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.FC(F)(F)c1cnc(-c2ccc(C3CCC(COc4ccccc4)CC3)nc2)[nH]1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is WLHGZTCBWGTLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3N3O2Si.C22H32F3N3O2Si.C22H22F3N3O.C7H8O.3CO2/c1-21-6-5-7-25(16-21)37-19-22-8-10-23(11-9-22)26-13-12-24(17-33-26)28-34-27(29(30,31)32)18-35(28)20-36-14-15-38(2,3)4;1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;23-22(24,25)20-13-27-21(28-20)17-10-11-19(26-12-17)16-8-6-15(7-9-16)14-29-18-4-2-1-3-5-18;1-6-3-2-4-7(8)5-6;3*2-1-3/h5-7,12-13,16-18,22-23H,8-11,14-15,19-20H2,1-4H3;8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;1-5,10-13,15-16H,6-9,14H2,(H,27,28);2-5,8H,1H3;;;.
What are the key properties of tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1642.92 g/mol, XLogP of 19.27, 23 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);3-methylphenol;2-[4-(phenoxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(3-methylphenoxy)methyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 176528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).