N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate

C30H26N2NiO2 — CID 161039085

IUPACN-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate
SMILESCCc1cccc(CC)c1/N=C/c1ccccn1.[Ni+2].[O-]c1c([O-])c2ccccc2c2ccccc12
InChIInChI=1S/C16H18N2.C14H10O2.Ni/c1-3-13-8-7-9-14(4-2)16(13)18-12-15-10-5-6-11-17-15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;/h5-12H,3-4H2,1-2H3;1-8,15-16H;/q;;+2/p-2/b18-12+;;
InChIKeyUAQKPLNPQNOPCD-JKXROLASSA-L
MW505.24 g/mol
LogP6.09
Rot. Bonds4

About N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate

N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate (PubChem CID 161039085) has the molecular formula C30H26N2NiO2 and a molecular weight of 505.24 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate
PubChem CID161039085
Molecular FormulaC30H26N2NiO2
Molecular Weight505.24 g/mol
Exact Mass504.13
IUPAC NameN-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate
SMILESCCc1cccc(CC)c1/N=C/c1ccccn1.[Ni+2].[O-]c1c([O-])c2ccccc2c2ccccc12
InChIInChI=1S/C16H18N2.C14H10O2.Ni/c1-3-13-8-7-9-14(4-2)16(13)18-12-15-10-5-6-11-17-15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;/h5-12H,3-4H2,1-2H3;1-8,15-16H;/q;;+2/p-2/b18-12+;;
InChIKeyUAQKPLNPQNOPCD-JKXROLASSA-L
XLogP6.09
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.24
LogP ≤ 56.09
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

N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
CID 11445939
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
CID 87860521
N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-(4-nitrophenyl)methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
CID 102025564
1-[4-chloro-6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]-N-(2,6-diethylphenyl)methanimine;cobalt(2+);dichloride
CID 70014357
bis(copper(1+));3,6-ditert-butylbenzene-1,2-diolate;N-(2,6-dimethylphenyl)-1-pyridin-2-ylmethanimine
CID 158112797
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
bis(dichloroiron);bis(N-(2,6-diethylphenyl)-1-(1,10-phenanthrolin-2-yl)methanimine)
CID 158218037
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
N-(2,6-diethyl-4-methylphenyl)-1-[6-[(2,6-diethyl-4-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 70011747
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
3,6-ditert-butylbenzene-1,2-diolate;N-(2,5-ditert-butylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+)
CID 158275751

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate?
The IUPAC name of N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate (CID 161039085) is N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate?
The canonical SMILES for N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate is CCc1cccc(CC)c1/N=C/c1ccccn1.[Ni+2].[O-]c1c([O-])c2ccccc2c2ccccc12.
What is the InChIKey of N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate?
The InChIKey is UAQKPLNPQNOPCD-JKXROLASSA-L. The full InChI is InChI=1S/C16H18N2.C14H10O2.Ni/c1-3-13-8-7-9-14(4-2)16(13)18-12-15-10-5-6-11-17-15;15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;/h5-12H,3-4H2,1-2H3;1-8,15-16H;/q;;+2/p-2/b18-12+;;.
What are the key properties of N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate?
N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate has a molecular weight of 505.24 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate is sourced from PubChem (CID 161039085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).