[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C46H23BF20O2Se — CID 139829948

IUPAC[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1.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
InChIInChI=1S/C24BF20.C22H23O2Se/c26-5-1(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;1-2-23-17-18-24-21-15-9-10-16-22(21)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h;3-16H,2,17-18H2,1H3/q-1;+1
InChIKeyLLIRMYAAKINQFI-UHFFFAOYSA-N
MW1077.42 g/mol
LogP8.46
Rot. Bonds12

About [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139829948) has the molecular formula C46H23BF20O2Se and a molecular weight of 1077.42 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID139829948
Molecular FormulaC46H23BF20O2Se
Molecular Weight1077.42 g/mol
Exact Mass1078.06
IUPAC Name[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1.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
InChIInChI=1S/C24BF20.C22H23O2Se/c26-5-1(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;1-2-23-17-18-24-21-15-9-10-16-22(21)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h;3-16H,2,17-18H2,1H3/q-1;+1
InChIKeyLLIRMYAAKINQFI-UHFFFAOYSA-N
XLogP8.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.42
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-(2-ethoxyethoxy)phenyl]selanium
CID 139829816
bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829890
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
CID 139829637
bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
CID 139829632
tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
CID 139829822
[2-(2-methoxyethoxy)phenyl]-diphenylselanium
CID 139829681
bis[2-(2-ethoxyethoxy)phenyl]iodanium;tetrakis[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]boranuide
CID 139829662
bis[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenylsulfanium;tetrakis(2-chloro-3,4,5,6-tetrafluorophenyl)boranuide
CID 139829813
[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenyliodanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
CID 139829997
[2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676800
potassium [2-(2-ethoxyethoxy)phenyl]-trifluoroboranuide
CID 63676799
tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate
CID 139829720

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139829948) is [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is CCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1.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.
What is the InChIKey of [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is LLIRMYAAKINQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C22H23O2Se/c26-5-1(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;1-2-23-17-18-24-21-15-9-10-16-22(21)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h;3-16H,2,17-18H2,1H3/q-1;+1.
What are the key properties of [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1077.42 g/mol, XLogP of 8.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139829948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).