4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel

C34H56Br2N2NiO4Si2 — CID 21131696

IUPAC4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel
SMILESBr[Ni]Br.Cc1cccc(C)c1/N=C(CCCOCCO[Si](C)(C)C)/C(CCCOCCO[Si](C)(C)C)=N/c1c(C)cccc1C
InChIInChI=1S/C34H56N2O4Si2.2BrH.Ni/c1-27-15-11-16-28(2)33(27)35-31(19-13-21-37-23-25-39-41(5,6)7)32(36-34-29(3)17-12-18-30(34)4)20-14-22-38-24-26-40-42(8,9)10;;;/h11-12,15-18H,13-14,19-26H2,1-10H3;2*1H;/q;;;+2/p-2/b35-31+,36-32+;;;
InChIKeyIRUHWIOBZPETAD-DDVHGCDCSA-L
MW831.50 g/mol
LogP10.75
Rot. Bonds19

About 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel

4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel (PubChem CID 21131696) has the molecular formula C34H56Br2N2NiO4Si2 and a molecular weight of 831.50 g/mol. Its IUPAC name is 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel.

Molecular Properties

Compound Name4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel
PubChem CID21131696
Molecular FormulaC34H56Br2N2NiO4Si2
Molecular Weight831.50 g/mol
Exact Mass828.15
IUPAC Name4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel
SMILESBr[Ni]Br.Cc1cccc(C)c1/N=C(CCCOCCO[Si](C)(C)C)/C(CCCOCCO[Si](C)(C)C)=N/c1c(C)cccc1C
InChIInChI=1S/C34H56N2O4Si2.2BrH.Ni/c1-27-15-11-16-28(2)33(27)35-31(19-13-21-37-23-25-39-41(5,6)7)32(36-34-29(3)17-12-18-30(34)4)20-14-22-38-24-26-40-42(8,9)10;;;/h11-12,15-18H,13-14,19-26H2,1-10H3;2*1H;/q;;;+2/p-2/b35-31+,36-32+;;;
InChIKeyIRUHWIOBZPETAD-DDVHGCDCSA-L
XLogP10.75
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.50
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
CID 24941636
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;carbanide;nickel(2+)
CID 59075453
5-N,6-N-bis(2,6-dimethylphenyl)-1,10-bis(trimethylsilyloxy)decane-5,6-diimine
CID 21131778
4,5-bis[(2,6-dimethylphenyl)imino]-N,N-bis(2-trimethylsilyloxyethyl)hexan-1-amine;dibromonickel
CID 21131730
2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
CID 21131773
4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
CID 21131748
2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
CID 21131746
4-N,5-N-bis(2,6-dimethyl-4-nitrophenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;bis(2-N,3-N-bis(2-methylnaphthalen-1-yl)-6-trimethylsilyloxyhexane-2,3-diimine);2-N,3-N-dinaphthalen-1-yl-6-trimethylsilyloxyhexane-2,3-diimine
CID 90744181
6,7-bis[(2,6-dimethylphenyl)imino]octane-1-sulfonate
CID 101119582
7-cyclopentyl-2-N,3-N-bis(2,6-dimethylphenyl)heptane-2,3-diimine;tetrachlorotitanium
CID 140632539
trimethyl-[2-[2-[2-[4-[2-[4-[2-[2-(2-trimethylsilyloxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]silane
CID 6421145
2-[2-(2-decoxyethoxy)ethoxy]ethoxy-trimethylsilane
CID 526726

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel?
The IUPAC name of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel (CID 21131696) is 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel.
What is the SMILES notation for 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel?
The canonical SMILES for 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel is Br[Ni]Br.Cc1cccc(C)c1/N=C(CCCOCCO[Si](C)(C)C)/C(CCCOCCO[Si](C)(C)C)=N/c1c(C)cccc1C.
What is the InChIKey of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel?
The InChIKey is IRUHWIOBZPETAD-DDVHGCDCSA-L. The full InChI is InChI=1S/C34H56N2O4Si2.2BrH.Ni/c1-27-15-11-16-28(2)33(27)35-31(19-13-21-37-23-25-39-41(5,6)7)32(36-34-29(3)17-12-18-30(34)4)20-14-22-38-24-26-40-42(8,9)10;;;/h11-12,15-18H,13-14,19-26H2,1-10H3;2*1H;/q;;;+2/p-2/b35-31+,36-32+;;;.
What are the key properties of 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel?
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel has a molecular weight of 831.50 g/mol, XLogP of 10.75, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel is sourced from PubChem (CID 21131696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).