2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine

C42H40N2O2Si2 — CID 87328834

IUPAC2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
SMILESCCCC(=N\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H40N2O2Si2/c1-3-22-42(44-46-48(39-29-16-7-17-30-39,40-31-18-8-19-32-40)41-33-20-9-21-34-41)35(2)43-45-47(36-23-10-4-11-24-36,37-25-12-5-13-26-37)38-27-14-6-15-28-38/h4-21,23-34H,3,22H2,1-2H3/b43-35+,44-42+
InChIKeyFLZYZOIFEFSROB-VLZHMIOZSA-N
MW660.97 g/mol
LogP5.89
Rot. Bonds13

About 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine

2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine (PubChem CID 87328834) has the molecular formula C42H40N2O2Si2 and a molecular weight of 660.97 g/mol. Its IUPAC name is 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
PubChem CID87328834
Molecular FormulaC42H40N2O2Si2
Molecular Weight660.97 g/mol
Exact Mass660.26
IUPAC Name2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
SMILESCCCC(=N\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H40N2O2Si2/c1-3-22-42(44-46-48(39-29-16-7-17-30-39,40-31-18-8-19-32-40)41-33-20-9-21-34-41)35(2)43-45-47(36-23-10-4-11-24-36,37-25-12-5-13-26-37)38-27-14-6-15-28-38/h4-21,23-34H,3,22H2,1-2H3/b43-35+,44-42+
InChIKeyFLZYZOIFEFSROB-VLZHMIOZSA-N
XLogP5.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.97
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
(E)-N-triphenylsilyloxybutan-2-imine
CID 87078861
2-N,3-N,4-N-tris(tribenzylsilyloxy)heptane-2,3,4-triimine
CID 141302709
1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
CID 154048211
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
2-ethyl-3-triphenylsilyloxyiminobutanenitrile
CID 140887497
1-triphenylsilyloxypentan-2-one
CID 18622623
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
CID 87327816
triphenylsilyl nitrite
CID 87559816
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
1-[methyl(diphenyl)silyl]butan-1-one
CID 10587992

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine (CID 87328834) is 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine is CCCC(=N\O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)/C(C)=N/O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine?
The InChIKey is FLZYZOIFEFSROB-VLZHMIOZSA-N. The full InChI is InChI=1S/C42H40N2O2Si2/c1-3-22-42(44-46-48(39-29-16-7-17-30-39,40-31-18-8-19-32-40)41-33-20-9-21-34-41)35(2)43-45-47(36-23-10-4-11-24-36,37-25-12-5-13-26-37)38-27-14-6-15-28-38/h4-21,23-34H,3,22H2,1-2H3/b43-35+,44-42+.
What are the key properties of 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine?
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine has a molecular weight of 660.97 g/mol, XLogP of 5.89, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine is sourced from PubChem (CID 87328834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).