carbanide;1,10-phenanthroline;bis(trioxorhenium)

C13H11N2O6Re2- — CID 59270684

IUPACcarbanide;1,10-phenanthroline;bis(trioxorhenium)
SMILESO=[Re](=O)=O.O=[Re](=O)=O.[CH3-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.CH3.6O.2Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h1-8H;1H3;;;;;;;;/q;-1;;;;;;;;
InChIKeyXEJHPEUQOGFVDL-UHFFFAOYSA-N
MW663.65 g/mol
LogP2.52
Rot. Bonds

About carbanide;1,10-phenanthroline;bis(trioxorhenium)

carbanide;1,10-phenanthroline;bis(trioxorhenium) (PubChem CID 59270684) has the molecular formula C13H11N2O6Re2- and a molecular weight of 663.65 g/mol. Its IUPAC name is carbanide;1,10-phenanthroline;bis(trioxorhenium).

Molecular Properties

Compound Namecarbanide;1,10-phenanthroline;bis(trioxorhenium)
PubChem CID59270684
Molecular FormulaC13H11N2O6Re2-
Molecular Weight663.65 g/mol
Exact Mass664.97
IUPAC Namecarbanide;1,10-phenanthroline;bis(trioxorhenium)
SMILESO=[Re](=O)=O.O=[Re](=O)=O.[CH3-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.CH3.6O.2Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h1-8H;1H3;;;;;;;;/q;-1;;;;;;;;
InChIKeyXEJHPEUQOGFVDL-UHFFFAOYSA-N
XLogP2.52
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.65
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 70430219
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CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
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Frequently Asked Questions

What is the IUPAC name of carbanide;1,10-phenanthroline;bis(trioxorhenium)?
The IUPAC name of carbanide;1,10-phenanthroline;bis(trioxorhenium) (CID 59270684) is carbanide;1,10-phenanthroline;bis(trioxorhenium).
What is the SMILES notation for carbanide;1,10-phenanthroline;bis(trioxorhenium)?
The canonical SMILES for carbanide;1,10-phenanthroline;bis(trioxorhenium) is O=[Re](=O)=O.O=[Re](=O)=O.[CH3-].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of carbanide;1,10-phenanthroline;bis(trioxorhenium)?
The InChIKey is XEJHPEUQOGFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.CH3.6O.2Re/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;;;;;;/h1-8H;1H3;;;;;;;;/q;-1;;;;;;;;.
What are the key properties of carbanide;1,10-phenanthroline;bis(trioxorhenium)?
carbanide;1,10-phenanthroline;bis(trioxorhenium) has a molecular weight of 663.65 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,10-phenanthroline;bis(trioxorhenium) is sourced from PubChem (CID 59270684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).