1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine

C52H44N2O2Si2 — CID 154048211

IUPAC1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
SMILESc1ccc(C(CCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H44N2O2Si2/c1-9-25-43(26-10-1)51(53-55-57(45-29-13-3-14-30-45,46-31-15-4-16-32-46)47-33-17-5-18-34-47)41-42-52(44-27-11-2-12-28-44)54-56-58(48-35-19-6-20-36-48,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2
InChIKeyBQFLONQTGQVWGW-UHFFFAOYSA-N
MW785.11 g/mol
LogP7.94
Rot. Bonds15

About 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine

1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine (PubChem CID 154048211) has the molecular formula C52H44N2O2Si2 and a molecular weight of 785.11 g/mol. Its IUPAC name is 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine.

Molecular Properties

Compound Name1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
PubChem CID154048211
Molecular FormulaC52H44N2O2Si2
Molecular Weight785.11 g/mol
Exact Mass784.29
IUPAC Name1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
SMILESc1ccc(C(CCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H44N2O2Si2/c1-9-25-43(26-10-1)51(53-55-57(45-29-13-3-14-30-45,46-31-15-4-16-32-46)47-33-17-5-18-34-47)41-42-52(44-27-11-2-12-28-44)54-56-58(48-35-19-6-20-36-48,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2
InChIKeyBQFLONQTGQVWGW-UHFFFAOYSA-N
XLogP7.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.11
LogP ≤ 57.94
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

1,4-diphenyl-4-trimethylsilyloxyiminobutan-1-one
CID 88532056
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
(E)-N-triphenylsilyloxybutan-2-imine
CID 87078861
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 87328834
triphenylsilyl nitrite
CID 87559816
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
(4Z)-1,4-diphenyl-4-phenylmethoxyiminobutan-1-one
CID 88532291
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
N-methoxy-1-phenylhexan-1-imine
CID 141496906
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
CID 87327816
2-ethyl-3-triphenylsilyloxyiminobutanenitrile
CID 140887497

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine?
The IUPAC name of 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine (CID 154048211) is 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine.
What is the SMILES notation for 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine?
The canonical SMILES for 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine is c1ccc(C(CCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine?
The InChIKey is BQFLONQTGQVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2O2Si2/c1-9-25-43(26-10-1)51(53-55-57(45-29-13-3-14-30-45,46-31-15-4-16-32-46)47-33-17-5-18-34-47)41-42-52(44-27-11-2-12-28-44)54-56-58(48-35-19-6-20-36-48,49-37-21-7-22-38-49)50-39-23-8-24-40-50/h1-40H,41-42H2.
What are the key properties of 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine?
1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine has a molecular weight of 785.11 g/mol, XLogP of 7.94, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine is sourced from PubChem (CID 154048211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).