dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine

C30H22Br2N2Ni — CID 10952302

IUPACdibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine
SMILESBr[Ni]Br.C(=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)\c1ccccn1
InChIInChI=1S/C30H22N2.2BrH.Ni/c1-4-12-23(13-5-1)26-20-28(24-14-6-2-7-15-24)30(32-22-27-18-10-11-19-31-27)29(21-26)25-16-8-3-9-17-25;;;/h1-22H;2*1H;/q;;;+2/p-2/b32-22+;;;
InChIKeyRJQKKWVKJMSTHW-KFIQQVOFSA-L
MW629.02 g/mol
LogP9.52
Rot. Bonds5

About dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine

dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine (PubChem CID 10952302) has the molecular formula C30H22Br2N2Ni and a molecular weight of 629.02 g/mol. Its IUPAC name is dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine.

Molecular Properties

Compound Namedibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine
PubChem CID10952302
Molecular FormulaC30H22Br2N2Ni
Molecular Weight629.02 g/mol
Exact Mass625.95
IUPAC Namedibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine
SMILESBr[Ni]Br.C(=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)\c1ccccn1
InChIInChI=1S/C30H22N2.2BrH.Ni/c1-4-12-23(13-5-1)26-20-28(24-14-6-2-7-15-24)30(32-22-27-18-10-11-19-31-27)29(21-26)25-16-8-3-9-17-25;;;/h1-22H;2*1H;/q;;;+2/p-2/b32-22+;;;
InChIKeyRJQKKWVKJMSTHW-KFIQQVOFSA-L
XLogP9.52
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.02
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine?
The IUPAC name of dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine (CID 10952302) is dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine.
What is the SMILES notation for dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine?
The canonical SMILES for dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine is Br[Ni]Br.C(=N/c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)\c1ccccn1.
What is the InChIKey of dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine?
The InChIKey is RJQKKWVKJMSTHW-KFIQQVOFSA-L. The full InChI is InChI=1S/C30H22N2.2BrH.Ni/c1-4-12-23(13-5-1)26-20-28(24-14-6-2-7-15-24)30(32-22-27-18-10-11-19-31-27)29(21-26)25-16-8-3-9-17-25;;;/h1-22H;2*1H;/q;;;+2/p-2/b32-22+;;;.
What are the key properties of dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine?
dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine has a molecular weight of 629.02 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;1-pyridin-2-yl-N-(2,4,6-triphenylphenyl)methanimine is sourced from PubChem (CID 10952302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).