nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide

C24H30Br4N4Ni2 — CID 173107216

IUPACnickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide
SMILESBr.Br.Br.Br.Cc1c(C)c(/N=C/Cc2ccccn2)c(C)c(C)c1/N=C/Cc1ccccn1.[Ni].[Ni]
InChIInChI=1S/C24H26N4.4BrH.2Ni/c1-17-18(2)24(28-16-12-22-10-6-8-14-26-22)20(4)19(3)23(17)27-15-11-21-9-5-7-13-25-21;;;;;;/h5-10,13-16H,11-12H2,1-4H3;4*1H;;/b27-15+,28-16+;;;;;;
InChIKeyFGTUGPLMCCIWPL-QUOBFJSZSA-N
MW811.53 g/mol
LogP7.91
Rot. Bonds6

About nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide

nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide (PubChem CID 173107216) has the molecular formula C24H30Br4N4Ni2 and a molecular weight of 811.53 g/mol. Its IUPAC name is nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide.

Molecular Properties

Compound Namenickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide
PubChem CID173107216
Molecular FormulaC24H30Br4N4Ni2
Molecular Weight811.53 g/mol
Exact Mass805.79
IUPAC Namenickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide
SMILESBr.Br.Br.Br.Cc1c(C)c(/N=C/Cc2ccccn2)c(C)c(C)c1/N=C/Cc1ccccn1.[Ni].[Ni]
InChIInChI=1S/C24H26N4.4BrH.2Ni/c1-17-18(2)24(28-16-12-22-10-6-8-14-26-22)20(4)19(3)23(17)27-15-11-21-9-5-7-13-25-21;;;;;;/h5-10,13-16H,11-12H2,1-4H3;4*1H;;/b27-15+,28-16+;;;;;;
InChIKeyFGTUGPLMCCIWPL-QUOBFJSZSA-N
XLogP7.91
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.53
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2,6-dimethylphenyl]-2-pyridin-2-ylethanimine;nickel;tetrahydrobromide
CID 173107657
N-[2,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68747629
N-[4-[3,5-di(propan-2-yl)-4-(2-pyridin-2-ylethylideneamino)phenyl]-2,6-di(propan-2-yl)phenyl]-2-pyridin-2-ylethanimine
CID 68749083
N-[4-[3-bromo-2-[3,5-dimethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]-6-methylphenyl]-2,6-dimethylphenyl]-2-pyridin-2-ylethanimine
CID 69492765
N-propyl-2-pyridin-2-ylethanimine
CID 66967042
N-[2,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-2-pyridin-2-ylethanimine
CID 68746503
2-prop-2-enylpyridine
CID 3015241
N-[4-[3,5-di(propan-2-yl)-4-[2-(6-pyridin-2-yl-2-pyridinyl)ethylideneamino]phenyl]-2,6-di(propan-2-yl)phenyl]-2-(6-pyridin-2-yl-2-pyridinyl)ethanimine
CID 91205826
CID 66669094
CID 66669094
2-ethylpyridine;sulfane
CID 67363352
ethane;pyridin-2-ylmethanamine
CID 90791011
ethane;2-ethylpyridine
CID 91102000

Frequently Asked Questions

What is the IUPAC name of nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide?
The IUPAC name of nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide (CID 173107216) is nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide.
What is the SMILES notation for nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide?
The canonical SMILES for nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide is Br.Br.Br.Br.Cc1c(C)c(/N=C/Cc2ccccn2)c(C)c(C)c1/N=C/Cc1ccccn1.[Ni].[Ni].
What is the InChIKey of nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide?
The InChIKey is FGTUGPLMCCIWPL-QUOBFJSZSA-N. The full InChI is InChI=1S/C24H26N4.4BrH.2Ni/c1-17-18(2)24(28-16-12-22-10-6-8-14-26-22)20(4)19(3)23(17)27-15-11-21-9-5-7-13-25-21;;;;;;/h5-10,13-16H,11-12H2,1-4H3;4*1H;;/b27-15+,28-16+;;;;;;.
What are the key properties of nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide?
nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide has a molecular weight of 811.53 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;2-pyridin-2-yl-N-[2,3,5,6-tetramethyl-4-(2-pyridin-2-ylethylideneamino)phenyl]ethanimine;tetrahydrobromide is sourced from PubChem (CID 173107216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).