dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)

C44H24Cu2N16 — CID 139062796

IUPACdicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)
SMILESN#CN=C=[N-].N#CN=C=[N-].N#C[N-]C#N.N#C[N-]C#N.[Cu+2].[Cu+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/2C18H12N2.4C2N3.2Cu/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;4*3-1-5-2-4;;/h2*1-12H;;;;;;/q;;4*-1;2*+2
InChIKeyZYKCCOZZZNOHQW-UHFFFAOYSA-N
MW903.88 g/mol
LogP9.96
Rot. Bonds2

About dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)

dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline) (PubChem CID 139062796) has the molecular formula C44H24Cu2N16 and a molecular weight of 903.88 g/mol. Its IUPAC name is dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline).

Molecular Properties

Compound Namedicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)
PubChem CID139062796
Molecular FormulaC44H24Cu2N16
Molecular Weight903.88 g/mol
Exact Mass902.10
IUPAC Namedicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)
SMILESN#CN=C=[N-].N#CN=C=[N-].N#C[N-]C#N.N#C[N-]C#N.[Cu+2].[Cu+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/2C18H12N2.4C2N3.2Cu/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;4*3-1-5-2-4;;/h2*1-12H;;;;;;/q;;4*-1;2*+2
InChIKeyZYKCCOZZZNOHQW-UHFFFAOYSA-N
XLogP9.96
TPSA291.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.88
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Biscryptolepine
CID 10457065
11-Indolo[3,2-b]quinolin-10-yl-5-methylindolo[3,2-b]quinoline
CID 9981100
Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-phenethyl-, hemihydrate, dl-
CID 3047522
9,9'-(Pyridine-2,6-diyldi(3,1-phenylene))di(9H-carbazole)
CID 59629380
9-Ethyl-3-[[4-[(9-ethyl-1-phenylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1-phenylpyrido[3,4-b]indole
CID 127029334
3-[[4-[(1,9-Dimethylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]-1,9-dimethylpyrido[3,4-b]indole
CID 127029053
Bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);tetrafluoroborate
CID 139130760
Bis(2,9-bis(trifluoromethyl)-1,10-phenanthroline);copper(1+);hexafluorophosphate
CID 139130761
Acetonitrile;bis(2,9-bis[4-(trifluoromethyl)phenyl]-1,10-phenanthroline);copper(1+);hexafluorophosphate
CID 139174394
Quinoline, 2,2'-(2,6-pyridinediyl)bis[4-phenyl-
CID 10838616
N,N,N',N'-tetrakis(2-quinolylmethyl)ethylenediamine
CID 11614269
4-Phenyl-2-(4-phenylquinolin-2-yl)quinoline
CID 15896405

Frequently Asked Questions

What is the IUPAC name of dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)?
The IUPAC name of dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline) (CID 139062796) is dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline).
What is the SMILES notation for dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)?
The canonical SMILES for dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline) is N#CN=C=[N-].N#CN=C=[N-].N#C[N-]C#N.N#C[N-]C#N.[Cu+2].[Cu+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)?
The InChIKey is ZYKCCOZZZNOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12N2.4C2N3.2Cu/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;4*3-1-5-2-4;;/h2*1-12H;;;;;;/q;;4*-1;2*+2.
What are the key properties of dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline)?
dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline) has a molecular weight of 903.88 g/mol, XLogP of 9.96, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;cyanoiminomethylideneazanide;bis(dicyanoazanide);bis(2-quinolin-2-ylquinoline) is sourced from PubChem (CID 139062796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).