2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide

C26H39BrN2NiOSi- — CID 21131773

IUPAC2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
SMILESCC(=N\c1c(C)cccc1C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cccc1C.[CH3-].[Ni]Br
InChIInChI=1S/C25H36N2OSi.CH3.BrH.Ni/c1-18-12-9-13-19(2)24(18)26-22(5)23(16-11-17-28-29(6,7)8)27-25-20(3)14-10-15-21(25)4;;;/h9-10,12-15H,11,16-17H2,1-8H3;1H3;1H;/q;-1;;+1/p-1/b26-22+,27-23+;;;
InChIKeyIFEGFVWDXHAPCV-BZQCXFOGSA-M
MW562.29 g/mol
LogP8.71
Rot. Bonds8

About 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide

2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide (PubChem CID 21131773) has the molecular formula C26H39BrN2NiOSi- and a molecular weight of 562.29 g/mol. Its IUPAC name is 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide.

Molecular Properties

Compound Name2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
PubChem CID21131773
Molecular FormulaC26H39BrN2NiOSi-
Molecular Weight562.29 g/mol
Exact Mass560.14
IUPAC Name2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
SMILESCC(=N\c1c(C)cccc1C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cccc1C.[CH3-].[Ni]Br
InChIInChI=1S/C25H36N2OSi.CH3.BrH.Ni/c1-18-12-9-13-19(2)24(18)26-22(5)23(16-11-17-28-29(6,7)8)27-25-20(3)14-10-15-21(25)4;;;/h9-10,12-15H,11,16-17H2,1-8H3;1H3;1H;/q;-1;;+1/p-1/b26-22+,27-23+;;;
InChIKeyIFEGFVWDXHAPCV-BZQCXFOGSA-M
XLogP8.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.29
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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;carbanide;nickel(2+)
CID 59075453
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
CID 24941636
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(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
CID 21131746
4-N,5-N-bis(2,6-dimethylphenyl)-1,8-bis(2-trimethylsilyloxyethoxy)octane-4,5-diimine;dibromonickel
CID 21131696
2-N,3-N-di(anthracen-9-yl)-6-trimethylsilyloxyhexane-2,3-diimine;dibromonickel
CID 21131707
4-N,5-N-bis(4-chloro-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine
CID 21131748
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
2-N,3-N-bis(2,6-dimethylphenyl)hexane-2,3-diimine;1,4,6,7,8,9-hexabromodibenzo-p-dioxin-2,3-diolate;nickel(2+)
CID 87878745

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide?
The IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide (CID 21131773) is 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide.
What is the SMILES notation for 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide?
The canonical SMILES for 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide is CC(=N\c1c(C)cccc1C)/C(CCCO[Si](C)(C)C)=N/c1c(C)cccc1C.[CH3-].[Ni]Br.
What is the InChIKey of 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide?
The InChIKey is IFEGFVWDXHAPCV-BZQCXFOGSA-M. The full InChI is InChI=1S/C25H36N2OSi.CH3.BrH.Ni/c1-18-12-9-13-19(2)24(18)26-22(5)23(16-11-17-28-29(6,7)8)27-25-20(3)14-10-15-21(25)4;;;/h9-10,12-15H,11,16-17H2,1-8H3;1H3;1H;/q;-1;;+1/p-1/b26-22+,27-23+;;;.
What are the key properties of 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide?
2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide has a molecular weight of 562.29 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide is sourced from PubChem (CID 21131773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).