copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)

C26H12CuN10O2 — CID 139066649

IUPACcopper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)
SMILESN#CN=C=[N-].N#CN=C=[N-].O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.[Cu+2]
InChIInChI=1S/2C11H6N2O.2C2N3.Cu/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;2*3-1-5-2-4;/h2*1-6H;;;/q;;2*-1;+2
InChIKeyCQLANILZLAKDBD-UHFFFAOYSA-N
MW560.00 g/mol
LogP3.80
Rot. Bonds

About copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)

copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one) (PubChem CID 139066649) has the molecular formula C26H12CuN10O2 and a molecular weight of 560.00 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one).

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)
PubChem CID139066649
Molecular FormulaC26H12CuN10O2
Molecular Weight560.00 g/mol
Exact Mass559.04
IUPAC Namecopper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)
SMILESN#CN=C=[N-].N#CN=C=[N-].O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.[Cu+2]
InChIInChI=1S/2C11H6N2O.2C2N3.Cu/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;2*3-1-5-2-4;/h2*1-6H;;;/q;;2*-1;+2
InChIKeyCQLANILZLAKDBD-UHFFFAOYSA-N
XLogP3.80
TPSA202.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.00
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)?
The IUPAC name of copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one) (CID 139066649) is copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one).
What is the SMILES notation for copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)?
The canonical SMILES for copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one) is N#CN=C=[N-].N#CN=C=[N-].O=C1c2cccnc2-c2ncccc21.O=C1c2cccnc2-c2ncccc21.[Cu+2].
What is the InChIKey of copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)?
The InChIKey is CQLANILZLAKDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H6N2O.2C2N3.Cu/c2*14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10;2*3-1-5-2-4;/h2*1-6H;;;/q;;2*-1;+2.
What are the key properties of copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one)?
copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one) has a molecular weight of 560.00 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;bis(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one) is sourced from PubChem (CID 139066649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).