tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane

C38H64N2O6Si2 — CID 162392866

IUPACtri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane
SMILESCC(C)O[Si](CCCCc1ccnc2c1ccc1c(CCCC[Si](OC(C)C)(OC(C)C)OC(C)C)ccnc12)(OC(C)C)OC(C)C
InChIInChI=1S/C38H64N2O6Si2/c1-27(2)41-47(42-28(3)4,43-29(5)6)25-15-13-17-33-21-23-39-37-35(33)19-20-36-34(22-24-40-38(36)37)18-14-16-26-48(44-30(7)8,45-31(9)10)46-32(11)12/h19-24,27-32H,13-18,25-26H2,1-12H3
InChIKeyLPJHFQTXRIYPES-UHFFFAOYSA-N
MW701.11 g/mol
LogP9.86
Rot. Bonds22

About tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane

tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane (PubChem CID 162392866) has the molecular formula C38H64N2O6Si2 and a molecular weight of 701.11 g/mol. Its IUPAC name is tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane
PubChem CID162392866
Molecular FormulaC38H64N2O6Si2
Molecular Weight701.11 g/mol
Exact Mass700.43
IUPAC Nametri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane
SMILESCC(C)O[Si](CCCCc1ccnc2c1ccc1c(CCCC[Si](OC(C)C)(OC(C)C)OC(C)C)ccnc12)(OC(C)C)OC(C)C
InChIInChI=1S/C38H64N2O6Si2/c1-27(2)41-47(42-28(3)4,43-29(5)6)25-15-13-17-33-21-23-39-37-35(33)19-20-36-34(22-24-40-38(36)37)18-14-16-26-48(44-30(7)8,45-31(9)10)46-32(11)12/h19-24,27-32H,13-18,25-26H2,1-12H3
InChIKeyLPJHFQTXRIYPES-UHFFFAOYSA-N
XLogP9.86
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.11
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane?
The IUPAC name of tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane (CID 162392866) is tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane.
What is the SMILES notation for tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane?
The canonical SMILES for tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane is CC(C)O[Si](CCCCc1ccnc2c1ccc1c(CCCC[Si](OC(C)C)(OC(C)C)OC(C)C)ccnc12)(OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane?
The InChIKey is LPJHFQTXRIYPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H64N2O6Si2/c1-27(2)41-47(42-28(3)4,43-29(5)6)25-15-13-17-33-21-23-39-37-35(33)19-20-36-34(22-24-40-38(36)37)18-14-16-26-48(44-30(7)8,45-31(9)10)46-32(11)12/h19-24,27-32H,13-18,25-26H2,1-12H3.
What are the key properties of tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane?
tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane has a molecular weight of 701.11 g/mol, XLogP of 9.86, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane is sourced from PubChem (CID 162392866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).