benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)

C85H134F6O3PSb — CID 22342072

IUPACbenzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)
SMILESCCCCCCCCCCCCCCCCCCOc1ccc([P+](c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)C(c2ccccc2)c2ccccc2)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C85H134O3P.6FH.Sb/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-55-74-86-79-62-68-82(69-63-79)89(85(77-58-51-49-52-59-77)78-60-53-50-54-61-78,83-70-64-80(65-71-83)87-75-56-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)84-72-66-81(67-73-84)88-76-57-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;;;;;;;/h49-54,58-73,85H,4-48,55-57,74-76H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyITAJRRYNJSOLAE-UHFFFAOYSA-H
MW1470.73 g/mol
LogP28.83
Rot. Bonds60

About benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)

benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-) (PubChem CID 22342072) has the molecular formula C85H134F6O3PSb and a molecular weight of 1470.73 g/mol. Its IUPAC name is benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-).

Molecular Properties

Compound Namebenzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)
PubChem CID22342072
Molecular FormulaC85H134F6O3PSb
Molecular Weight1470.73 g/mol
Exact Mass1468.90
IUPAC Namebenzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)
SMILESCCCCCCCCCCCCCCCCCCOc1ccc([P+](c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)C(c2ccccc2)c2ccccc2)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C85H134O3P.6FH.Sb/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-55-74-86-79-62-68-82(69-63-79)89(85(77-58-51-49-52-59-77)78-60-53-50-54-61-78,83-70-64-80(65-71-83)87-75-56-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)84-72-66-81(67-73-84)88-76-57-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;;;;;;;/h49-54,58-73,85H,4-48,55-57,74-76H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyITAJRRYNJSOLAE-UHFFFAOYSA-H
XLogP28.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds60
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001470.73
LogP ≤ 528.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-) 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

pentoxybenzene;undecane
CID 174778179
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,4-dipentoxybenzene
CID 18314717
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
1-pentoxy-4-phenylbenzene
CID 7021155
hexafluoroantimony(1-);1-iodo-2-(4-octoxyphenyl)benzene
CID 175076692
N-(4-heptoxyphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807195
[3,5-bis(trifluoromethyl)phenyl]-(4-octoxyphenyl)-diphenylphosphanium
CID 158233367
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507

Frequently Asked Questions

What is the IUPAC name of benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)?
The IUPAC name of benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-) (CID 22342072) is benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-).
What is the SMILES notation for benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)?
The canonical SMILES for benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-) is CCCCCCCCCCCCCCCCCCOc1ccc([P+](c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)(c2ccc(OCCCCCCCCCCCCCCCCCC)cc2)C(c2ccccc2)c2ccccc2)cc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)?
The InChIKey is ITAJRRYNJSOLAE-UHFFFAOYSA-H. The full InChI is InChI=1S/C85H134O3P.6FH.Sb/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-55-74-86-79-62-68-82(69-63-79)89(85(77-58-51-49-52-59-77)78-60-53-50-54-61-78,83-70-64-80(65-71-83)87-75-56-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)84-72-66-81(67-73-84)88-76-57-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;;;;;;;/h49-54,58-73,85H,4-48,55-57,74-76H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-)?
benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-) has a molecular weight of 1470.73 g/mol, XLogP of 28.83, 60 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-tris(4-octadecoxyphenyl)phosphanium;hexafluoroantimony(1-) is sourced from PubChem (CID 22342072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).