nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine

C30H26N2NiO2 — CID 161248104

IUPACnickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1ccccn1.[Ni+2].[O-]c1c([O-])c2ccccc2c2ccccc12
InChIInChI=1S/C16H18N2.C14H10O2.Ni/c1-11-9-12(2)16(13(3)10-11)18-14(4)15-7-5-6-8-17-15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;/h5-10H,1-4H3;1-8,15-16H;/q;;+2/p-2/b18-14+;;
InChIKeyVAXCNRLHECRVDU-RAIISBKQSA-L
MW505.24 g/mol
LogP6.29
Rot. Bonds2

About nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine

nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 161248104) has the molecular formula C30H26N2NiO2 and a molecular weight of 505.24 g/mol. Its IUPAC name is nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Namenickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID161248104
Molecular FormulaC30H26N2NiO2
Molecular Weight505.24 g/mol
Exact Mass504.13
IUPAC Namenickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1ccccn1.[Ni+2].[O-]c1c([O-])c2ccccc2c2ccccc12
InChIInChI=1S/C16H18N2.C14H10O2.Ni/c1-11-9-12(2)16(13(3)10-11)18-14(4)15-7-5-6-8-17-15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;/h5-10H,1-4H3;1-8,15-16H;/q;;+2/p-2/b18-14+;;
InChIKeyVAXCNRLHECRVDU-RAIISBKQSA-L
XLogP6.29
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.24
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
carbanide;cobalt(2+);1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 59100370
N-methyl-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine
CID 118102441
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
N-(2,6-dibromophenyl)-1-pyridin-2-ylethanimine
CID 141267824
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
dichloroiron;1-[1-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]isoquinolin-3-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 140795238
1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
CID 173242783
palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
CID 10650522
1-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 149311972
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
N-methyl-1-pyridin-2-ylethanimine
CID 12970828

Frequently Asked Questions

What is the IUPAC name of nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine (CID 161248104) is nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine is C/C(=N\c1c(C)cc(C)cc1C)c1ccccn1.[Ni+2].[O-]c1c([O-])c2ccccc2c2ccccc12.
What is the InChIKey of nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is VAXCNRLHECRVDU-RAIISBKQSA-L. The full InChI is InChI=1S/C16H18N2.C14H10O2.Ni/c1-11-9-12(2)16(13(3)10-11)18-14(4)15-7-5-6-8-17-15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;/h5-10H,1-4H3;1-8,15-16H;/q;;+2/p-2/b18-14+;;.
What are the key properties of nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine?
nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 505.24 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 161248104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).