1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine

C47H42N2O2Si2 — CID 87327816

IUPAC1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
SMILESC/C(C/C(Cc1ccccc1)=N\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C47H42N2O2Si2/c1-39(48-50-52(42-25-11-3-12-26-42,43-27-13-4-14-28-43)44-29-15-5-16-30-44)37-41(38-40-23-9-2-10-24-40)49-51-53(45-31-17-6-18-32-45,46-33-19-7-20-34-46)47-35-21-8-22-36-47/h2-36H,37-38H2,1H3/b48-39-,49-41+
InChIKeyNBDUVERUFLCILN-UAEYHXPYSA-N
MW723.04 g/mol
LogP6.72
Rot. Bonds14

About 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine

1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine (PubChem CID 87327816) has the molecular formula C47H42N2O2Si2 and a molecular weight of 723.04 g/mol. Its IUPAC name is 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine.

Molecular Properties

Compound Name1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
PubChem CID87327816
Molecular FormulaC47H42N2O2Si2
Molecular Weight723.04 g/mol
Exact Mass722.28
IUPAC Name1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
SMILESC/C(C/C(Cc1ccccc1)=N\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C47H42N2O2Si2/c1-39(48-50-52(42-25-11-3-12-26-42,43-27-13-4-14-28-43)44-29-15-5-16-30-44)37-41(38-40-23-9-2-10-24-40)49-51-53(45-31-17-6-18-32-45,46-33-19-7-20-34-46)47-35-21-8-22-36-47/h2-36H,37-38H2,1H3/b48-39-,49-41+
InChIKeyNBDUVERUFLCILN-UAEYHXPYSA-N
XLogP6.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.04
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-N,4-N-bis(trimethylsilyloxy)pentane-2,4-diimine
CID 87328481
(E)-N-triphenylsilyloxybutan-2-imine
CID 87078861
[(4-acetyloxyimino-5-phenylpentan-2-ylidene)amino] acetate
CID 87328065
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 87328834
triphenyl-[(Z)-4-phenylbut-2-en-2-yl]oxysilane
CID 101425357
2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
2-ethyl-3-triphenylsilyloxyiminobutanenitrile
CID 140887497
(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
triphenylsilyl nitrite
CID 87559816
CID 172801156
CID 172801156

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine?
The IUPAC name of 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine (CID 87327816) is 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine.
What is the SMILES notation for 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine?
The canonical SMILES for 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine is C/C(C/C(Cc1ccccc1)=N\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine?
The InChIKey is NBDUVERUFLCILN-UAEYHXPYSA-N. The full InChI is InChI=1S/C47H42N2O2Si2/c1-39(48-50-52(42-25-11-3-12-26-42,43-27-13-4-14-28-43)44-29-15-5-16-30-44)37-41(38-40-23-9-2-10-24-40)49-51-53(45-31-17-6-18-32-45,46-33-19-7-20-34-46)47-35-21-8-22-36-47/h2-36H,37-38H2,1H3/b48-39-,49-41+.
What are the key properties of 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine?
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine has a molecular weight of 723.04 g/mol, XLogP of 6.72, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine is sourced from PubChem (CID 87327816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).