sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide

C33H40BNaO4Si — CID 139829561

IUPACsodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
SMILESCCO[Si](CCCOc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OCC)OCC.[Na+]
InChIInChI=1S/C33H40BO4Si.Na/c1-4-36-39(37-5-2,38-6-3)28-16-27-35-33-25-23-32(24-26-33)34(29-17-10-7-11-18-29,30-19-12-8-13-20-30)31-21-14-9-15-22-31;/h7-15,17-26H,4-6,16,27-28H2,1-3H3;/q-1;+1
InChIKeyUDHMQHJCUGZIQE-UHFFFAOYSA-N
MW562.57 g/mol
LogP1.89
Rot. Bonds15

About sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide

sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide (PubChem CID 139829561) has the molecular formula C33H40BNaO4Si and a molecular weight of 562.57 g/mol. Its IUPAC name is sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide.

Molecular Properties

Compound Namesodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
PubChem CID139829561
Molecular FormulaC33H40BNaO4Si
Molecular Weight562.57 g/mol
Exact Mass562.27
IUPAC Namesodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
SMILESCCO[Si](CCCOc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OCC)OCC.[Na+]
InChIInChI=1S/C33H40BO4Si.Na/c1-4-36-39(37-5-2,38-6-3)28-16-27-35-33-25-23-32(24-26-33)34(29-17-10-7-11-18-29,30-19-12-8-13-20-30)31-21-14-9-15-22-31;/h7-15,17-26H,4-6,16,27-28H2,1-3H3;/q-1;+1
InChIKeyUDHMQHJCUGZIQE-UHFFFAOYSA-N
XLogP1.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.57
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(5-phenoxypentyl)silane
CID 69261827
4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
CID 137240522
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
CID 102598751
3-(2-bromophenoxy)propyl-triethoxysilane
CID 23271728
3-[4-[4-[8-(3-triethoxysilylpropoxy)octoxy]phenyl]phenoxy]propane-1-thiol
CID 91319392
[3-(3-triethoxysilylpropoxy)phenyl] benzoate
CID 52911417
triethoxy-[3-[4-[4-[10-[2-ethyl-2-(methoxymethyl)butoxy]decoxy]phenyl]phenoxy]propyl]silane
CID 91075767
diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
CID 102511384
triphenyl-[4-(3-trimethoxysilylpropoxy)phenyl]phosphanium
CID 90351881
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
CID 15397513

Frequently Asked Questions

What is the IUPAC name of sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide?
The IUPAC name of sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide (CID 139829561) is sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide.
What is the SMILES notation for sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide?
The canonical SMILES for sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide is CCO[Si](CCCOc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(OCC)OCC.[Na+].
What is the InChIKey of sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide?
The InChIKey is UDHMQHJCUGZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40BO4Si.Na/c1-4-36-39(37-5-2,38-6-3)28-16-27-35-33-25-23-32(24-26-33)34(29-17-10-7-11-18-29,30-19-12-8-13-20-30)31-21-14-9-15-22-31;/h7-15,17-26H,4-6,16,27-28H2,1-3H3;/q-1;+1.
What are the key properties of sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide?
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide has a molecular weight of 562.57 g/mol, XLogP of 1.89, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide is sourced from PubChem (CID 139829561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).