diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium

C46H60N2O7PSi2+ — CID 102511384

IUPACdiphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
SMILESCCO[Si](CCCOc1ccc(/N=N/c2ccc([P+](Cc3ccc([Si](OCC)(OCC)OCC)cc3)(c3ccccc3)c3ccccc3)cc2)cc1)(OCC)OCC
InChIInChI=1S/C46H60N2O7PSi2/c1-7-50-57(51-8-2,52-9-3)37-19-36-49-42-30-26-40(27-31-42)47-48-41-28-32-45(33-29-41)56(43-20-15-13-16-21-43,44-22-17-14-18-23-44)38-39-24-34-46(35-25-39)58(53-10-4,54-11-5)55-12-6/h13-18,20-35H,7-12,19,36-38H2,1-6H3/q+1/b48-47+
InChIKeyJDYKNRBQUFWWOY-QJGAVIKSSA-N
MW840.14 g/mol
LogP9.67
Rot. Bonds25

About diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium

diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium (PubChem CID 102511384) has the molecular formula C46H60N2O7PSi2+ and a molecular weight of 840.14 g/mol. Its IUPAC name is diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium.

Molecular Properties

Compound Namediphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
PubChem CID102511384
Molecular FormulaC46H60N2O7PSi2+
Molecular Weight840.14 g/mol
Exact Mass839.37
IUPAC Namediphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
SMILESCCO[Si](CCCOc1ccc(/N=N/c2ccc([P+](Cc3ccc([Si](OCC)(OCC)OCC)cc3)(c3ccccc3)c3ccccc3)cc2)cc1)(OCC)OCC
InChIInChI=1S/C46H60N2O7PSi2/c1-7-50-57(51-8-2,52-9-3)37-19-36-49-42-30-26-40(27-31-42)47-48-41-28-32-45(33-29-41)56(43-20-15-13-16-21-43,44-22-17-14-18-23-44)38-39-24-34-46(35-25-39)58(53-10-4,54-11-5)55-12-6/h13-18,20-35H,7-12,19,36-38H2,1-6H3/q+1/b48-47+
InChIKeyJDYKNRBQUFWWOY-QJGAVIKSSA-N
XLogP9.67
TPSA89.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.14
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium with MolForge

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Related Compounds

4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
CID 137240522
[4-(4-phenoxybutoxy)phenyl]methyl-triphenylphosphanium chloride
CID 23124752
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
(4-butoxyphenyl)methyl-triphenylphosphanium acetate
CID 87191199
triethoxy(5-phenoxypentyl)silane
CID 69261827
benzyl-[4-(2-(18F)fluoroethoxy)phenyl]-diphenylphosphanium bromide
CID 162029575
triphenyl-[[4-(4-phenylbutoxy)phenyl]methyl]phosphanium
CID 23124762
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
CID 158445572
triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium
CID 90351881
1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
CID 102598751

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium?
The IUPAC name of diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium (CID 102511384) is diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium.
What is the SMILES notation for diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium?
The canonical SMILES for diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium is CCO[Si](CCCOc1ccc(/N=N/c2ccc([P+](Cc3ccc([Si](OCC)(OCC)OCC)cc3)(c3ccccc3)c3ccccc3)cc2)cc1)(OCC)OCC.
What is the InChIKey of diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium?
The InChIKey is JDYKNRBQUFWWOY-QJGAVIKSSA-N. The full InChI is InChI=1S/C46H60N2O7PSi2/c1-7-50-57(51-8-2,52-9-3)37-19-36-49-42-30-26-40(27-31-42)47-48-41-28-32-45(33-29-41)56(43-20-15-13-16-21-43,44-22-17-14-18-23-44)38-39-24-34-46(35-25-39)58(53-10-4,54-11-5)55-12-6/h13-18,20-35H,7-12,19,36-38H2,1-6H3/q+1/b48-47+.
What are the key properties of diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium?
diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium has a molecular weight of 840.14 g/mol, XLogP of 9.67, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium is sourced from PubChem (CID 102511384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).