tris(1,10-phenanthroline);ruthenium(2+);dichloride

C36H24Cl2N6Ru — CID 138375736

IUPACtris(1,10-phenanthroline);ruthenium(2+);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
InChIKeyUWXWBVKIJZGXQL-UHFFFAOYSA-L
MW712.61 g/mol
LogP2.35
Rot. Bonds

About tris(1,10-phenanthroline);ruthenium(2+);dichloride

tris(1,10-phenanthroline);ruthenium(2+);dichloride (PubChem CID 138375736) has the molecular formula C36H24Cl2N6Ru and a molecular weight of 712.61 g/mol. Its IUPAC name is tris(1,10-phenanthroline);ruthenium(2+);dichloride.

Molecular Properties

Compound Nametris(1,10-phenanthroline);ruthenium(2+);dichloride
PubChem CID138375736
Molecular FormulaC36H24Cl2N6Ru
Molecular Weight712.61 g/mol
Exact Mass712.05
IUPAC Nametris(1,10-phenanthroline);ruthenium(2+);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
InChIKeyUWXWBVKIJZGXQL-UHFFFAOYSA-L
XLogP2.35
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.61
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 sulfate
CID 84567
1,10-Phenanthroline ferrous perchlorate
CID 84537
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Pt(Phen)Cl2, 2
CID 3524225
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
Tris(1,10-phenanthroline); dichlororuthenium
CID 6096197
Bis(cyano-C)bis(1,10-phenanthroline-N1,N10)iron
CID 167165
Dichlororuthenium--4,7-diphenyl-1,10-phenanthroline (1/3)
CID 11980975

Frequently Asked Questions

What is the IUPAC name of tris(1,10-phenanthroline);ruthenium(2+);dichloride?
The IUPAC name of tris(1,10-phenanthroline);ruthenium(2+);dichloride (CID 138375736) is tris(1,10-phenanthroline);ruthenium(2+);dichloride.
What is the SMILES notation for tris(1,10-phenanthroline);ruthenium(2+);dichloride?
The canonical SMILES for tris(1,10-phenanthroline);ruthenium(2+);dichloride is [Cl-].[Cl-].[Ru+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tris(1,10-phenanthroline);ruthenium(2+);dichloride?
The InChIKey is UWXWBVKIJZGXQL-UHFFFAOYSA-L. The full InChI is InChI=1S/3C12H8N2.2ClH.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2.
What are the key properties of tris(1,10-phenanthroline);ruthenium(2+);dichloride?
tris(1,10-phenanthroline);ruthenium(2+);dichloride has a molecular weight of 712.61 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,10-phenanthroline);ruthenium(2+);dichloride is sourced from PubChem (CID 138375736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).