tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)

C146H204F12N8O28S2Si4W4+4 — CID 161451223

IUPACtetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
SMILESCC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/4C21H25N2.4C10H12.2C4H7F3O.4C3H10O4Si.2CHF3O3S.4O.4W/c4*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;4*1-10(2,3)9-7-5-4-6-8-9;2*1-3(2,8)4(5,6)7;4*1-5-8(4,6-2)7-3;2*2-1(3,4)8(5,6)7;;;;;;;;/h4*7-13H,1-6H3;4*1,4-8H,2-3H3;2*8H,1-2H3;4*4H,1-3H3;2*(H,5,6,7);;;;;;;;/q4*+1;;;;;;;;;;;;;;;;;;;;
InChIKeyJIFNEVTTZOOBSZ-UHFFFAOYSA-N
MW3659.08 g/mol
LogP31.22
Rot. Bonds28

About tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)

tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol) (PubChem CID 161451223) has the molecular formula C146H204F12N8O28S2Si4W4+4 and a molecular weight of 3659.08 g/mol. Its IUPAC name is tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol).

Molecular Properties

Compound Nametetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
PubChem CID161451223
Molecular FormulaC146H204F12N8O28S2Si4W4+4
Molecular Weight3659.08 g/mol
Exact Mass3657.11
IUPAC Nametetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
SMILESCC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/4C21H25N2.4C10H12.2C4H7F3O.4C3H10O4Si.2CHF3O3S.4O.4W/c4*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;4*1-10(2,3)9-7-5-4-6-8-9;2*1-3(2,8)4(5,6)7;4*1-5-8(4,6-2)7-3;2*2-1(3,4)8(5,6)7;;;;;;;;/h4*7-13H,1-6H3;4*1,4-8H,2-3H3;2*8H,1-2H3;4*4H,1-3H3;2*(H,5,6,7);;;;;;;;/q4*+1;;;;;;;;;;;;;;;;;;;;
InChIKeyJIFNEVTTZOOBSZ-UHFFFAOYSA-N
XLogP31.22
TPSA448.60 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003659.08
LogP ≤ 531.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)?
The IUPAC name of tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol) (CID 161451223) is tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol).
What is the SMILES notation for tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)?
The canonical SMILES for tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol) is CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(C=[W]=O)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.CO[Si](O)(OC)OC.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)[cH+]2)c(C)c1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)?
The InChIKey is JIFNEVTTZOOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H25N2.4C10H12.2C4H7F3O.4C3H10O4Si.2CHF3O3S.4O.4W/c4*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;4*1-10(2,3)9-7-5-4-6-8-9;2*1-3(2,8)4(5,6)7;4*1-5-8(4,6-2)7-3;2*2-1(3,4)8(5,6)7;;;;;;;;/h4*7-13H,1-6H3;4*1,4-8H,2-3H3;2*8H,1-2H3;4*4H,1-3H3;2*(H,5,6,7);;;;;;;;/q4*+1;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol)?
tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol) has a molecular weight of 3659.08 g/mol, XLogP of 31.22, 28 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ylium);tetrakis(hydroxy(trimethoxy)silane);tetrakis((2-methyl-2-phenylpropylidene)-oxotungsten);bis(trifluoromethanesulfonic acid);bis(1,1,1-trifluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 161451223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).