bis(1,10-phenanthroline);ruthenium

C24H16N4Ru — CID 15001085

IUPACbis(1,10-phenanthroline);ruthenium
SMILES[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-8H;
InChIKeyNMBYRGNUNICTEU-UHFFFAOYSA-N
MW461.49 g/mol
LogP5.56
Rot. Bonds

About bis(1,10-phenanthroline);ruthenium

bis(1,10-phenanthroline);ruthenium (PubChem CID 15001085) has the molecular formula C24H16N4Ru and a molecular weight of 461.49 g/mol. Its IUPAC name is bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Namebis(1,10-phenanthroline);ruthenium
PubChem CID15001085
Molecular FormulaC24H16N4Ru
Molecular Weight461.49 g/mol
Exact Mass462.04
IUPAC Namebis(1,10-phenanthroline);ruthenium
SMILES[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-8H;
InChIKeyNMBYRGNUNICTEU-UHFFFAOYSA-N
XLogP5.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
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
sodium;cobalt(3+);molybdenum;(oxygen(2-));tris(1,10-phenanthroline);trihydrate
CID 139178820
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
CID 139068271
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650

Frequently Asked Questions

What is the IUPAC name of bis(1,10-phenanthroline);ruthenium?
The IUPAC name of bis(1,10-phenanthroline);ruthenium (CID 15001085) is bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for bis(1,10-phenanthroline);ruthenium is [Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(1,10-phenanthroline);ruthenium?
The InChIKey is NMBYRGNUNICTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.Ru/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-8H;.
What are the key properties of bis(1,10-phenanthroline);ruthenium?
bis(1,10-phenanthroline);ruthenium has a molecular weight of 461.49 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 15001085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).