bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C58H31BF20O4Se — CID 139829890

About bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139829890) has the molecular formula C58H31BF20O4Se and a molecular weight of 1261.61 g/mol. Its IUPAC name is bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 139829890
• Molecular Formula: C58H31BF20O4Se
• Molecular Weight: 1261.61 g/mol
• Exact Mass: 1262.12
• IUPAC Name: bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc(OCCOc2ccccc2[Se+](c2ccccc2)c2ccccc2OCCOc2ccccc2)cc1
• InChI: InChI=1S/C34H31O4Se.C24BF20/c1-4-14-28(15-5-1)35-24-26-37-31-20-10-12-22-33(31)39(30-18-8-3-9-19-30)34-23-13-11-21-32(34)38-27-25-36-29-16-6-2-7-17-29;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h1-23H,24-27H2;/q+1;-1
• InChIKey: FLQVIBXCVCYBFH-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.61
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139829890) is bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

What is the SMILES notation for bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The canonical SMILES for bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc(OCCOc2ccccc2[Se+](c2ccccc2)c2ccccc2OCCOc2ccccc2)cc1.

What is the InChIKey of bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is FLQVIBXCVCYBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31O4Se.C24BF20/c1-4-14-28(15-5-1)35-24-26-37-31-20-10-12-22-33(31)39(30-18-8-3-9-19-30)34-23-13-11-21-32(34)38-27-25-36-29-16-6-2-7-17-29;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h1-23H,24-27H2;/q+1;-1.

What are the key properties of bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1261.61 g/mol, XLogP of 10.96, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139829890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).