copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite

C44H54CuN8Ni2O10 — CID 139058512

IUPACcopper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite
SMILESCC(C)(C/N=C/c1ccccc1[O-])C/N=C/c1ccccc1[O-].CC(C)(C/N=C/c1ccccc1[O-])C/N=C/c1ccccc1[O-].CN(C)C=O.CN(C)C=O.O=N[O-].O=N[O-].[Cu+2].[Ni+2].[Ni+2]
InChIInChI=1S/2C19H22N2O2.2C3H7NO.Cu.2HNO2.2Ni/c2*1-19(2,13-20-11-15-7-3-5-9-17(15)22)14-21-12-16-8-4-6-10-18(16)23;2*1-4(2)3-5;;2*2-1-3;;/h2*3-12,22-23H,13-14H2,1-2H3;2*3H,1-2H3;;2*(H,2,3);;/q;;;;+2;;;2*+2/p-6/b2*20-11+,21-12+;;;;;;;
InChIKeyXCRLGFFNFOVUIU-XSNIVGMLSA-H
MW1035.89 g/mol
LogP4.70
Rot. Bonds14

About copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite

copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite (PubChem CID 139058512) has the molecular formula C44H54CuN8Ni2O10 and a molecular weight of 1035.89 g/mol. Its IUPAC name is copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite.

Molecular Properties

Compound Namecopper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite
PubChem CID139058512
Molecular FormulaC44H54CuN8Ni2O10
Molecular Weight1035.89 g/mol
Exact Mass1033.20
IUPAC Namecopper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite
SMILESCC(C)(C/N=C/c1ccccc1[O-])C/N=C/c1ccccc1[O-].CC(C)(C/N=C/c1ccccc1[O-])C/N=C/c1ccccc1[O-].CN(C)C=O.CN(C)C=O.O=N[O-].O=N[O-].[Cu+2].[Ni+2].[Ni+2]
InChIInChI=1S/2C19H22N2O2.2C3H7NO.Cu.2HNO2.2Ni/c2*1-19(2,13-20-11-15-7-3-5-9-17(15)22)14-21-12-16-8-4-6-10-18(16)23;2*1-4(2)3-5;;2*2-1-3;;/h2*3-12,22-23H,13-14H2,1-2H3;2*3H,1-2H3;;2*(H,2,3);;/q;;;;+2;;;2*+2/p-6/b2*20-11+,21-12+;;;;;;;
InChIKeyXCRLGFFNFOVUIU-XSNIVGMLSA-H
XLogP4.70
TPSA287.28 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.89
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite?
The IUPAC name of copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite (CID 139058512) is copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite.
What is the SMILES notation for copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite?
The canonical SMILES for copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite is CC(C)(C/N=C/c1ccccc1[O-])C/N=C/c1ccccc1[O-].CC(C)(C/N=C/c1ccccc1[O-])C/N=C/c1ccccc1[O-].CN(C)C=O.CN(C)C=O.O=N[O-].O=N[O-].[Cu+2].[Ni+2].[Ni+2].
What is the InChIKey of copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite?
The InChIKey is XCRLGFFNFOVUIU-XSNIVGMLSA-H. The full InChI is InChI=1S/2C19H22N2O2.2C3H7NO.Cu.2HNO2.2Ni/c2*1-19(2,13-20-11-15-7-3-5-9-17(15)22)14-21-12-16-8-4-6-10-18(16)23;2*1-4(2)3-5;;2*2-1-3;;/h2*3-12,22-23H,13-14H2,1-2H3;2*3H,1-2H3;;2*(H,2,3);;/q;;;;+2;;;2*+2/p-6/b2*20-11+,21-12+;;;;;;;.
What are the key properties of copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite?
copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite has a molecular weight of 1035.89 g/mol, XLogP of 4.70, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(N,N-dimethylformamide);bis(2-[[2,2-dimethyl-3-[(2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate);bis(nickel(2+));dinitrite is sourced from PubChem (CID 139058512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).