[4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane

C45H75O10PSi3 — CID 12058644

IUPAC[4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(P(=O)(c2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc2)c2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc2)cc1
InChIInChI=1S/C45H75O10PSi3/c1-31(2)47-57(48-32(3)4,49-33(5)6)43-25-19-40(20-26-43)56(46,41-21-27-44(28-22-41)58(50-34(7)8,51-35(9)10)52-36(11)12)42-23-29-45(30-24-42)59(53-37(13)14,54-38(15)16)55-39(17)18/h19-39H,1-18H3
InChIKeyURUIHYIUOJILJY-UHFFFAOYSA-N
MW891.32 g/mol
LogP7.59
Rot. Bonds24

About [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane

[4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane (PubChem CID 12058644) has the molecular formula C45H75O10PSi3 and a molecular weight of 891.32 g/mol. Its IUPAC name is [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name[4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane
PubChem CID12058644
Molecular FormulaC45H75O10PSi3
Molecular Weight891.32 g/mol
Exact Mass890.44
IUPAC Name[4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(P(=O)(c2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc2)c2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc2)cc1
InChIInChI=1S/C45H75O10PSi3/c1-31(2)47-57(48-32(3)4,49-33(5)6)43-25-19-40(20-26-43)56(46,41-21-27-44(28-22-41)58(50-34(7)8,51-35(9)10)52-36(11)12)42-23-29-45(30-24-42)59(53-37(13)14,54-38(15)16)55-39(17)18/h19-39H,1-18H3
InChIKeyURUIHYIUOJILJY-UHFFFAOYSA-N
XLogP7.59
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.32
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane?
The IUPAC name of [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane (CID 12058644) is [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane.
What is the SMILES notation for [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane?
The canonical SMILES for [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane is CC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(P(=O)(c2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc2)c2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cc2)cc1.
What is the InChIKey of [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane?
The InChIKey is URUIHYIUOJILJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H75O10PSi3/c1-31(2)47-57(48-32(3)4,49-33(5)6)43-25-19-40(20-26-43)56(46,41-21-27-44(28-22-41)58(50-34(7)8,51-35(9)10)52-36(11)12)42-23-29-45(30-24-42)59(53-37(13)14,54-38(15)16)55-39(17)18/h19-39H,1-18H3.
What are the key properties of [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane?
[4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane has a molecular weight of 891.32 g/mol, XLogP of 7.59, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis[4-tri(propan-2-yloxy)silylphenyl]phosphorylphenyl]-tri(propan-2-yloxy)silane is sourced from PubChem (CID 12058644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).