tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride

C30H18B4F10K4N8O6Te4 — CID 159204766

IUPACtetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride
SMILESCC12CO[B-](c3c(F)c4c5n[te]nc5c([B-]56OCC(C)(CO5)CO6)c(F)c4c4n[te]nc34)(OC1)OC2.FB(F)F.FB(F)c1c(F)c2c3n[te]nc3[c-]c(F)c2c2n[te]nc12.[F-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C20H18B2F2N4O6Te2.C10BF4N4Te2.BF3.FH.4K/c1-19-3-29-21(30-4-19,31-5-19)11-13(23)9-10(15-17(11)27-35-25-15)14(24)12(18-16(9)26-36-28-18)22-32-6-20(2,7-33-22)8-34-22;12-2-1-3-8(17-20-16-3)5-4(2)9-10(19-21-18-9)6(7(5)13)11(14)15;2-1(3)4;;;;;/h3-8H2,1-2H3;;;1H;;;;/q-2;-1;;;4*+1/p-1
InChIKeyXUDZIPBHGUIKKG-UHFFFAOYSA-M
MW1486.54 g/mol
LogP-13.97
Rot. Bonds3

About tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride

tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride (PubChem CID 159204766) has the molecular formula C30H18B4F10K4N8O6Te4 and a molecular weight of 1486.54 g/mol. Its IUPAC name is tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride.

Molecular Properties

Compound Nametetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride
PubChem CID159204766
Molecular FormulaC30H18B4F10K4N8O6Te4
Molecular Weight1486.54 g/mol
Exact Mass1495.64
IUPAC Nametetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride
SMILESCC12CO[B-](c3c(F)c4c5n[te]nc5c([B-]56OCC(C)(CO5)CO6)c(F)c4c4n[te]nc34)(OC1)OC2.FB(F)F.FB(F)c1c(F)c2c3n[te]nc3[c-]c(F)c2c2n[te]nc12.[F-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C20H18B2F2N4O6Te2.C10BF4N4Te2.BF3.FH.4K/c1-19-3-29-21(30-4-19,31-5-19)11-13(23)9-10(15-17(11)27-35-25-15)14(24)12(18-16(9)26-36-28-18)22-32-6-20(2,7-33-22)8-34-22;12-2-1-3-8(17-20-16-3)5-4(2)9-10(19-21-18-9)6(7(5)13)11(14)15;2-1(3)4;;;;;/h3-8H2,1-2H3;;;1H;;;;/q-2;-1;;;4*+1/p-1
InChIKeyXUDZIPBHGUIKKG-UHFFFAOYSA-M
XLogP-13.97
TPSA158.50 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms66
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.54
LogP ≤ 5-13.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride?
The IUPAC name of tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride (CID 159204766) is tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride.
What is the SMILES notation for tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride?
The canonical SMILES for tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride is CC12CO[B-](c3c(F)c4c5n[te]nc5c([B-]56OCC(C)(CO5)CO6)c(F)c4c4n[te]nc34)(OC1)OC2.FB(F)F.FB(F)c1c(F)c2c3n[te]nc3[c-]c(F)c2c2n[te]nc12.[F-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride?
The InChIKey is XUDZIPBHGUIKKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18B2F2N4O6Te2.C10BF4N4Te2.BF3.FH.4K/c1-19-3-29-21(30-4-19,31-5-19)11-13(23)9-10(15-17(11)27-35-25-15)14(24)12(18-16(9)26-36-28-18)22-32-6-20(2,7-33-22)8-34-22;12-2-1-3-8(17-20-16-3)5-4(2)9-10(19-21-18-9)6(7(5)13)11(14)15;2-1(3)4;;;;;/h3-8H2,1-2H3;;;1H;;;;/q-2;-1;;;4*+1/p-1.
What are the key properties of tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride?
tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride has a molecular weight of 1486.54 g/mol, XLogP of -13.97, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;(4,9-difluoro-5H-[2,1,3]benzotelluradiazolo[7,6-g][2,1,3]benzotelluradiazol-5-id-10-yl)-difluoroborane;4,9-difluoro-5,10-bis(4-methyl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octan-1-yl)-[2,1,3]benzotelluradiazolo[5,4-e][2,1,3]benzotelluradiazole;trifluoroborane;fluoride is sourced from PubChem (CID 159204766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).