copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate

C26H16ClCuN7O4 — CID 139059379

IUPACcopper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate
SMILESN#CN=C=[N-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2N3.ClHO4.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;(H,2,3,4,5);/q;;-1;;+2/p-1
InChIKeyUZSIVPWJQCEWON-UHFFFAOYSA-M
MW589.46 g/mol
LogP1.02
Rot. Bonds

About copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate

copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate (PubChem CID 139059379) has the molecular formula C26H16ClCuN7O4 and a molecular weight of 589.46 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate.

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate
PubChem CID139059379
Molecular FormulaC26H16ClCuN7O4
Molecular Weight589.46 g/mol
Exact Mass588.02
IUPAC Namecopper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate
SMILESN#CN=C=[N-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2N3.ClHO4.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;(H,2,3,4,5);/q;;-1;;+2/p-1
InChIKeyUZSIVPWJQCEWON-UHFFFAOYSA-M
XLogP1.02
TPSA202.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.46
LogP ≤ 51.02
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline ferrous perchlorate
CID 84537
1,10-Phenanthroline ferrous sulfate
CID 84567
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Pt(Phen)Cl2, 2
CID 3524225
2-[2-[4-[9-[1-[2-(Diaminomethylideneamino)ethyl]triazol-4-yl]-1,10-phenanthrolin-2-yl]triazol-1-yl]ethyl]guanidine
CID 76313944
2-[3-[4-[9-[1-[3-(Diaminomethylideneamino)propyl]triazol-4-yl]-1,10-phenanthrolin-2-yl]triazol-1-yl]propyl]guanidine
CID 76313945
1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
(8S)-N-(3-piperazin-1-ylpropyl)-N-[[9-(pyridin-2-ylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176597
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850

Frequently Asked Questions

What is the IUPAC name of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate?
The IUPAC name of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate (CID 139059379) is copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate.
What is the SMILES notation for copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate?
The canonical SMILES for copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate is N#CN=C=[N-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate?
The InChIKey is UZSIVPWJQCEWON-UHFFFAOYSA-M. The full InChI is InChI=1S/2C12H8N2.C2N3.ClHO4.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;(H,2,3,4,5);/q;;-1;;+2/p-1.
What are the key properties of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate?
copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate has a molecular weight of 589.46 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);perchlorate is sourced from PubChem (CID 139059379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).