4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride

C24H18Cl2N2Ru — CID 173105288

IUPAC4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
SMILESCl.Cl.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.2ClH.Ru/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;/h1-16H;2*1H;
InChIKeyJKJTVZKGFOLQLB-UHFFFAOYSA-N
MW506.40 g/mol
LogP6.96
Rot. Bonds2

About 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride

4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride (PubChem CID 173105288) has the molecular formula C24H18Cl2N2Ru and a molecular weight of 506.40 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
PubChem CID173105288
Molecular FormulaC24H18Cl2N2Ru
Molecular Weight506.40 g/mol
Exact Mass505.99
IUPAC Name4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
SMILESCl.Cl.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.2ClH.Ru/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;/h1-16H;2*1H;
InChIKeyJKJTVZKGFOLQLB-UHFFFAOYSA-N
XLogP6.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.40
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
4-bromo-7-phenyl-1,10-phenanthroline
CID 18759599
copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
CID 158177227
4-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]aniline
CID 102574675
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
CID 173166760
dichloro(diethyl)stannane;4,7-diphenyl-1,10-phenanthroline
CID 4574299
4-benzyl-7-phenyl-1,10-phenanthroline
CID 142216618
aluminum tris(4-phenylquinolin-8-olate)
CID 101048489
3-[3-(4,7-diphenyl-1,10-phenanthrolin-3-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
CID 146248672

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride (CID 173105288) is 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride is Cl.Cl.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride?
The InChIKey is JKJTVZKGFOLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.2ClH.Ru/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;/h1-16H;2*1H;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride?
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride has a molecular weight of 506.40 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride is sourced from PubChem (CID 173105288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).