bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)

C30H30N4NiO6+4 — CID 135752302

IUPACbis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)
SMILESCOc1ccc(C=N/N=C(\[OH2+])c2ccccc2O)cc1.COc1ccc(C=N/N=C(\[OH2+])c2ccccc2O)cc1.[Ni+2]
InChIInChI=1S/2C15H14N2O3.Ni/c2*1-20-12-8-6-11(7-9-12)10-16-17-15(19)13-4-2-3-5-14(13)18;/h2*2-10,18H,1H3,(H,17,19);/q;;+2/p+2
InChIKeyPSYJLZDTPCEDQB-UHFFFAOYSA-P
MW601.29 g/mol
LogP3.81
Rot. Bonds8

About bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)

bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+) (PubChem CID 135752302) has the molecular formula C30H30N4NiO6+4 and a molecular weight of 601.29 g/mol. Its IUPAC name is bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+).

Molecular Properties

Compound Namebis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)
PubChem CID135752302
Molecular FormulaC30H30N4NiO6+4
Molecular Weight601.29 g/mol
Exact Mass600.15
IUPAC Namebis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)
SMILESCOc1ccc(C=N/N=C(\[OH2+])c2ccccc2O)cc1.COc1ccc(C=N/N=C(\[OH2+])c2ccccc2O)cc1.[Ni+2]
InChIInChI=1S/2C15H14N2O3.Ni/c2*1-20-12-8-6-11(7-9-12)10-16-17-15(19)13-4-2-3-5-14(13)18;/h2*2-10,18H,1H3,(H,17,19);/q;;+2/p+2
InChIKeyPSYJLZDTPCEDQB-UHFFFAOYSA-P
XLogP3.81
TPSA154.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis([C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);manganese(2+);dihydroxide
CID 5152251
copper;bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);dihydroxide
CID 135607660
bis((NZ,1Z)-2-hydroxy-N-[(4-methoxyphenyl)methylidene]benzenecarbohydrazonate);manganese(2+);dihydrate
CID 135666331
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1,2-bis[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
CID 3802912
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5379610

Frequently Asked Questions

What is the IUPAC name of bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)?
The IUPAC name of bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+) (CID 135752302) is bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+).
What is the SMILES notation for bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)?
The canonical SMILES for bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+) is COc1ccc(C=N/N=C(\[OH2+])c2ccccc2O)cc1.COc1ccc(C=N/N=C(\[OH2+])c2ccccc2O)cc1.[Ni+2].
What is the InChIKey of bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)?
The InChIKey is PSYJLZDTPCEDQB-UHFFFAOYSA-P. The full InChI is InChI=1S/2C15H14N2O3.Ni/c2*1-20-12-8-6-11(7-9-12)10-16-17-15(19)13-4-2-3-5-14(13)18;/h2*2-10,18H,1H3,(H,17,19);/q;;+2/p+2.
What are the key properties of bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)?
bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+) has a molecular weight of 601.29 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+) is sourced from PubChem (CID 135752302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).