bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide

C48H27BCl8F12O4Se — CID 139829632

IUPACbis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
SMILESCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1OCCOC.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
InChIInChI=1S/C24BCl8F12.C24H27O4Se/c26-5-1(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;1-25-16-18-27-21-12-6-8-14-23(21)29(20-10-4-3-5-11-20)24-15-9-7-13-22(24)28-19-17-26-2/h;3-15H,16-19H2,1-2H3/q-1;+1
InChIKeyMAQQBSPFRYVLNA-UHFFFAOYSA-N
MW1269.11 g/mol
LogP12.21
Rot. Bonds15

About bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide

bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide (PubChem CID 139829632) has the molecular formula C48H27BCl8F12O4Se and a molecular weight of 1269.11 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide.

Molecular Properties

Compound Namebis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
PubChem CID139829632
Molecular FormulaC48H27BCl8F12O4Se
Molecular Weight1269.11 g/mol
Exact Mass1265.85
IUPAC Namebis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
SMILESCOCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1OCCOC.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
InChIInChI=1S/C24BCl8F12.C24H27O4Se/c26-5-1(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;1-25-16-18-27-21-12-6-8-14-23(21)29(20-10-4-3-5-11-20)24-15-9-7-13-22(24)28-19-17-26-2/h;3-15H,16-19H2,1-2H3/q-1;+1
InChIKeyMAQQBSPFRYVLNA-UHFFFAOYSA-N
XLogP12.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.11
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dichloro-4,5,6-trifluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
CID 139829822
[2-(2-methoxyethoxy)phenyl]-diphenylselanium
CID 139829681
[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829948
[2-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;tetrakis(2-chloro-3,4,5,6-tetrafluorophenyl)boranuide
CID 139829931
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-(2-ethoxyethoxy)phenyl]selanium
CID 139829816
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
CID 139829637
[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenyliodanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide
CID 139829997
bis[2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-phenylsulfanium;tetrakis(2-chloro-3,4,5,6-tetrafluorophenyl)boranuide
CID 139829813
sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23669690
[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-phenyliodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829954
potassium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209583
bis[2-(2-methoxyethoxy)phenyl]iodanium
CID 139829734

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide?
The IUPAC name of bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide (CID 139829632) is bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide.
What is the SMILES notation for bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide?
The canonical SMILES for bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide is COCCOc1ccccc1[Se+](c1ccccc1)c1ccccc1OCCOC.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.
What is the InChIKey of bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide?
The InChIKey is MAQQBSPFRYVLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BCl8F12.C24H27O4Se/c26-5-1(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;1-25-16-18-27-21-12-6-8-14-23(21)29(20-10-4-3-5-11-20)24-15-9-7-13-22(24)28-19-17-26-2/h;3-15H,16-19H2,1-2H3/q-1;+1.
What are the key properties of bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide?
bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide has a molecular weight of 1269.11 g/mol, XLogP of 12.21, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3-dichloro-4,5,6-trifluorophenyl)boranuide is sourced from PubChem (CID 139829632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).