tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium

C72H51BCl8F12O9Se — CID 139829822

About tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium

tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium (PubChem CID 139829822) has the molecular formula C72H51BCl8F12O9Se and a molecular weight of 1661.56 g/mol. Its IUPAC name is tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium.

Molecular Properties

• Compound Name: tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
• PubChem CID: 139829822
• Molecular Formula: C72H51BCl8F12O9Se
• Molecular Weight: 1661.56 g/mol
• Exact Mass: 1658.01
• IUPAC Name: tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
• SMILES: Fc1c(F)c(Cl)c(Cl)c([B-](c2c(F)c(F)c(F)c(Cl)c2Cl)(c2c(F)c(F)c(F)c(Cl)c2Cl)c2c(F)c(F)c(F)c(Cl)c2Cl)c1F.c1ccc(OCCOCCOc2ccccc2[Se+](c2ccccc2OCCOCCOc2ccccc2)c2ccccc2OCCOCCOc2ccccc2)cc1
• InChI: InChI=1S/C48H51O9Se.C24BCl8F12/c1-4-16-40(17-5-1)52-34-28-49-31-37-55-43-22-10-13-25-46(43)58(47-26-14-11-23-44(47)56-38-32-50-29-35-53-41-18-6-2-7-19-41)48-27-15-12-24-45(48)57-39-33-51-30-36-54-42-20-8-3-9-21-42;26-5-1(13(34)21(42)17(38)9(5)30)25(2-6(27)10(31)18(39)22(43)14(2)35,3-7(28)11(32)19(40)23(44)15(3)36)4-8(29)12(33)20(41)24(45)16(4)37/h1-27H,28-39H2;/q+1;-1
• InChIKey: LLKWUUMAWLXVRM-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 31
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1661.56
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium?

The IUPAC name of tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium (CID 139829822) is tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium.

What is the SMILES notation for tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium?

The canonical SMILES for tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium is Fc1c(F)c(Cl)c(Cl)c([B-](c2c(F)c(F)c(F)c(Cl)c2Cl)(c2c(F)c(F)c(F)c(Cl)c2Cl)c2c(F)c(F)c(F)c(Cl)c2Cl)c1F.c1ccc(OCCOCCOc2ccccc2[Se+](c2ccccc2OCCOCCOc2ccccc2)c2ccccc2OCCOCCOc2ccccc2)cc1.

What is the InChIKey of tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium?

The InChIKey is LLKWUUMAWLXVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51O9Se.C24BCl8F12/c1-4-16-40(17-5-1)52-34-28-49-31-37-55-43-22-10-13-25-46(43)58(47-26-14-11-23-44(47)56-38-32-50-29-35-53-41-18-6-2-7-19-41)48-27-15-12-24-45(48)57-39-33-51-30-36-54-42-20-8-3-9-21-42;26-5-1(13(34)21(42)17(38)9(5)30)25(2-6(27)10(31)18(39)22(43)14(2)35,3-7(28)11(32)19(40)23(44)15(3)36)4-8(29)12(33)20(41)24(45)16(4)37/h1-27H,28-39H2;/q+1;-1.

What are the key properties of tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium?

tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium has a molecular weight of 1661.56 g/mol, XLogP of 16.59, 31 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium is sourced from PubChem (CID 139829822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).