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

C32H52Br2N2NiO4Si2 — CID 21131751

IUPAC4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
SMILESBr[Ni]Br.COc1cc(C)c(/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C32H52N2O4Si2.2BrH.Ni/c1-23-19-27(35-5)20-24(2)31(23)33-29(15-13-17-37-39(7,8)9)30(16-14-18-38-40(10,11)12)34-32-25(3)21-28(36-6)22-26(32)4;;;/h19-22H,13-18H2,1-12H3;2*1H;/q;;;+2/p-2/b33-29+,34-30+;;;
InChIKeyBKFDOEUIQIIVDD-OAMUHEOFSA-L
MW803.45 g/mol
LogP10.73
Rot. Bonds15

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

4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel (PubChem CID 21131751) has the molecular formula C32H52Br2N2NiO4Si2 and a molecular weight of 803.45 g/mol. Its IUPAC name is 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel.

Molecular Properties

Compound Name4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
PubChem CID21131751
Molecular FormulaC32H52Br2N2NiO4Si2
Molecular Weight803.45 g/mol
Exact Mass800.12
IUPAC Name4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel
SMILESBr[Ni]Br.COc1cc(C)c(/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C32H52N2O4Si2.2BrH.Ni/c1-23-19-27(35-5)20-24(2)31(23)33-29(15-13-17-37-39(7,8)9)30(16-14-18-38-40(10,11)12)34-32-25(3)21-28(36-6)22-26(32)4;;;/h19-22H,13-18H2,1-12H3;2*1H;/q;;;+2/p-2/b33-29+,34-30+;;;
InChIKeyBKFDOEUIQIIVDD-OAMUHEOFSA-L
XLogP10.73
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.45
LogP ≤ 510.73
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

2-N,3-N-bis(4-bromo-2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine
CID 21131746
2-N,3-N-bis(2,6-dimethylphenyl)-6-trimethylsilyloxyhexane-2,3-diimine;bromonickel;carbanide
CID 21131773
tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane
CID 69222386
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate
CID 122373272
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
4-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940100
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
CID 14362702
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel?
The IUPAC name of 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel (CID 21131751) is 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel.
What is the SMILES notation for 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel?
The canonical SMILES for 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel is Br[Ni]Br.COc1cc(C)c(/N=C(CCCO[Si](C)(C)C)/C(CCCO[Si](C)(C)C)=N/c2c(C)cc(OC)cc2C)c(C)c1.
What is the InChIKey of 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel?
The InChIKey is BKFDOEUIQIIVDD-OAMUHEOFSA-L. The full InChI is InChI=1S/C32H52N2O4Si2.2BrH.Ni/c1-23-19-27(35-5)20-24(2)31(23)33-29(15-13-17-37-39(7,8)9)30(16-14-18-38-40(10,11)12)34-32-25(3)21-28(36-6)22-26(32)4;;;/h19-22H,13-18H2,1-12H3;2*1H;/q;;;+2/p-2/b33-29+,34-30+;;;.
What are the key properties of 4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel?
4-N,5-N-bis(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel has a molecular weight of 803.45 g/mol, XLogP of 10.73, 15 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(4-methoxy-2,6-dimethylphenyl)-1,8-bis(trimethylsilyloxy)octane-4,5-diimine;dibromonickel is sourced from PubChem (CID 21131751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).