tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate

C42H39BF4O6Se — CID 139829720

IUPACtris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(OCCOc2ccccc2[Se+](c2ccccc2OCCOc2ccccc2)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C42H39O6Se.BF4/c1-4-16-34(17-5-1)43-28-31-46-37-22-10-13-25-40(37)49(41-26-14-11-23-38(41)47-32-29-44-35-18-6-2-7-19-35)42-27-15-12-24-39(42)48-33-30-45-36-20-8-3-9-21-36;2-1(3,4)5/h1-27H,28-33H2;/q+1;-1
InChIKeyGSTKESCQQDDNMR-UHFFFAOYSA-N
MW805.53 g/mol
LogP7.88
Rot. Bonds18

About tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate

tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate (PubChem CID 139829720) has the molecular formula C42H39BF4O6Se and a molecular weight of 805.53 g/mol. Its IUPAC name is tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate.

Molecular Properties

Compound Nametris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate
PubChem CID139829720
Molecular FormulaC42H39BF4O6Se
Molecular Weight805.53 g/mol
Exact Mass806.19
IUPAC Nametris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(OCCOc2ccccc2[Se+](c2ccccc2OCCOc2ccccc2)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C42H39O6Se.BF4/c1-4-16-34(17-5-1)43-28-31-46-37-22-10-13-25-40(37)49(41-26-14-11-23-38(41)47-32-29-44-35-18-6-2-7-19-35)42-27-15-12-24-39(42)48-33-30-45-36-20-8-3-9-21-36;2-1(3,4)5/h1-27H,28-33H2;/q+1;-1
InChIKeyGSTKESCQQDDNMR-UHFFFAOYSA-N
XLogP7.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.53
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate with MolForge

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

Launch Full Analysis

Related Compounds

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;tris[2-[2-(2-phenoxyethoxy)ethoxy]phenyl]selanium
CID 139829637
bis[2-(2-phenoxyethoxy)phenyl]-phenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829890
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
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658
2-phenoxyethylmercury
CID 163598363
ethoxybenzene tetrafluoroborate
CID 174807216
[2-(2-ethoxyethoxy)phenyl]-diphenylselanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139829948
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155

Frequently Asked Questions

What is the IUPAC name of tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate?
The IUPAC name of tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate (CID 139829720) is tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate.
What is the SMILES notation for tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate?
The canonical SMILES for tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(OCCOc2ccccc2[Se+](c2ccccc2OCCOc2ccccc2)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate?
The InChIKey is GSTKESCQQDDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39O6Se.BF4/c1-4-16-34(17-5-1)43-28-31-46-37-22-10-13-25-40(37)49(41-26-14-11-23-38(41)47-32-29-44-35-18-6-2-7-19-35)42-27-15-12-24-39(42)48-33-30-45-36-20-8-3-9-21-36;2-1(3,4)5/h1-27H,28-33H2;/q+1;-1.
What are the key properties of tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate?
tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate has a molecular weight of 805.53 g/mol, XLogP of 7.88, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(2-phenoxyethoxy)phenyl]selanium tetrafluoroborate is sourced from PubChem (CID 139829720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).