N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)

C19H15NNiO2 — CID 42634362

IUPACN-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
SMILESCc1ccc(/N=C(\[O-])c2c([O-])ccc3ccccc23)c(C)c1.[Ni+2]
InChIInChI=1S/C19H17NO2.Ni/c1-12-7-9-16(13(2)11-12)20-19(22)18-15-6-4-3-5-14(15)8-10-17(18)21;/h3-11,21H,1-2H3,(H,20,22);/q;+2/p-2
InChIKeyBFCQWPOFSHFDTF-UHFFFAOYSA-L
MW348.03 g/mol
LogP2.97
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)

N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+) (PubChem CID 42634362) has the molecular formula C19H15NNiO2 and a molecular weight of 348.03 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+).

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
PubChem CID42634362
Molecular FormulaC19H15NNiO2
Molecular Weight348.03 g/mol
Exact Mass347.05
IUPAC NameN-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)
SMILESCc1ccc(/N=C(\[O-])c2c([O-])ccc3ccccc23)c(C)c1.[Ni+2]
InChIInChI=1S/C19H17NO2.Ni/c1-12-7-9-16(13(2)11-12)20-19(22)18-15-6-4-3-5-14(15)8-10-17(18)21;/h3-11,21H,1-2H3,(H,20,22);/q;+2/p-2
InChIKeyBFCQWPOFSHFDTF-UHFFFAOYSA-L
XLogP2.97
TPSA58.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cobalt;bis(N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);naphthalene-2,3-diolate
CID 173181729
N-(2,4-dimethylphenyl)-1-naphthalen-1-ylmethanimine
CID 1381168
1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
CID 137143767
dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048555
bis(dichlorocobalt);1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-[4-[[[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-phenylmethylidene]amino]phenyl]-1-phenylmethanimine
CID 20750702
cobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 87860468
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 1272184
zinc;bis(1-carboxynaphthalen-2-olate);dihydrate
CID 54746329
N-cyclopenta-1,3-dien-1-ylanthracene-9-carboximidate
CID 59861888
1-(2,6-dichlorophenyl)-N-(2,4-dimethylphenyl)ethanimine
CID 143659682

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)?
The IUPAC name of N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+) (CID 42634362) is N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+).
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+) is Cc1ccc(/N=C(\[O-])c2c([O-])ccc3ccccc23)c(C)c1.[Ni+2].
What is the InChIKey of N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)?
The InChIKey is BFCQWPOFSHFDTF-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H17NO2.Ni/c1-12-7-9-16(13(2)11-12)20-19(22)18-15-6-4-3-5-14(15)8-10-17(18)21;/h3-11,21H,1-2H3,(H,20,22);/q;+2/p-2.
What are the key properties of N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+)?
N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+) has a molecular weight of 348.03 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-oxidonaphthalene-1-carboximidate;nickel(2+) is sourced from PubChem (CID 42634362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).