[[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)

C58H56F6O9S2Te4 — CID 139266220

IUPAC[[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)
SMILESCc1ccc([Te+](O[Te](O[Te](O[Te+](c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C56H56O3Te4.2CHF3O3S/c1-41-9-25-49(26-10-41)60(50-27-11-42(2)12-28-50)57-62(53-33-17-45(5)18-34-53,54-35-19-46(6)20-36-54)59-63(55-37-21-47(7)22-38-55,56-39-23-48(8)24-40-56)58-61(51-29-13-43(3)14-30-51)52-31-15-44(4)16-32-52;2*2-1(3,4)8(5,6)7/h9-40H,1-8H3;2*(H,5,6,7)/q+2;;/p-2
InChIKeyDDWCVBCUWZCOHQ-UHFFFAOYSA-L
MW1585.60 g/mol
LogP7.73
Rot. Bonds14

About [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)

[[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate) (PubChem CID 139266220) has the molecular formula C58H56F6O9S2Te4 and a molecular weight of 1585.60 g/mol. Its IUPAC name is [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Name[[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)
PubChem CID139266220
Molecular FormulaC58H56F6O9S2Te4
Molecular Weight1585.60 g/mol
Exact Mass1593.95
IUPAC Name[[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)
SMILESCc1ccc([Te+](O[Te](O[Te](O[Te+](c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C56H56O3Te4.2CHF3O3S/c1-41-9-25-49(26-10-41)60(50-27-11-42(2)12-28-50)57-62(53-33-17-45(5)18-34-53,54-35-19-46(6)20-36-54)59-63(55-37-21-47(7)22-38-55,56-39-23-48(8)24-40-56)58-61(51-29-13-43(3)14-30-51)52-31-15-44(4)16-32-52;2*2-1(3,4)8(5,6)7/h9-40H,1-8H3;2*(H,5,6,7)/q+2;;/p-2
InChIKeyDDWCVBCUWZCOHQ-UHFFFAOYSA-L
XLogP7.73
TPSA142.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001585.60
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-methyl-1-(4-methylphenyl)pyridin-1-ium;trifluoromethanesulfonate
CID 155291514
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
1-(18F)fluoro-4-methylbenzene;methane;trifluoromethanesulfonate;trimethyl-(4-methylphenyl)azanium
CID 157104592
1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
CID 2724575
1-methyl-2,6-bis[2-(4-methylphenyl)ethyl]pyridin-1-ium;trifluoromethanesulfonate
CID 71606876
1-methyl-4-(1,1,2,2,2-pentafluoroethylsulfonyl)benzene
CID 53429734
4-methylbenzenesulfonate;2,2,2-trifluoroethanol
CID 131722453
1-dodecyl-4-methylpyridin-1-ium;trifluoromethanesulfonate
CID 171615379
1-methyl-2,6-bis[2-[4-(4-methylphenyl)phenyl]ethynyl]pyridin-1-ium;trifluoromethanesulfonate
CID 122181654
1-methyl-2-[(4-methylphenoxy)methyl]-4-[(4-methylphenyl)methyl]pyridin-1-ium;trifluoromethanesulfonate
CID 71605549
anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
CID 11104386
methyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium;trifluoromethanesulfonate
CID 131740991

Frequently Asked Questions

What is the IUPAC name of [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)?
The IUPAC name of [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate) (CID 139266220) is [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate).
What is the SMILES notation for [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)?
The canonical SMILES for [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate) is Cc1ccc([Te+](O[Te](O[Te](O[Te+](c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)?
The InChIKey is DDWCVBCUWZCOHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C56H56O3Te4.2CHF3O3S/c1-41-9-25-49(26-10-41)60(50-27-11-42(2)12-28-50)57-62(53-33-17-45(5)18-34-53,54-35-19-46(6)20-36-54)59-63(55-37-21-47(7)22-38-55,56-39-23-48(8)24-40-56)58-61(51-29-13-43(3)14-30-51)52-31-15-44(4)16-32-52;2*2-1(3,4)8(5,6)7/h9-40H,1-8H3;2*(H,5,6,7)/q+2;;/p-2.
What are the key properties of [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate)?
[[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate) has a molecular weight of 1585.60 g/mol, XLogP of 7.73, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(4-methylphenyl)tellaniumyloxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)-λ4-tellanyl]oxy-bis(4-methylphenyl)tellanium;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139266220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).