tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride

C72H48Cl2N6Ru — CID 11980975

IUPACtris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.2ClH.Ru/c3*1-3-7-17(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;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2
InChIKeySKZWFYFFTOHWQP-UHFFFAOYSA-L
MW1169.19 g/mol
LogP12.36
Rot. Bonds6

About tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride

tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride (PubChem CID 11980975) has the molecular formula C72H48Cl2N6Ru and a molecular weight of 1169.19 g/mol. Its IUPAC name is tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride.

Molecular Properties

Compound Nametris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride
PubChem CID11980975
Molecular FormulaC72H48Cl2N6Ru
Molecular Weight1169.19 g/mol
Exact Mass1168.24
IUPAC Nametris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride
SMILES[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/3C24H16N2.2ClH.Ru/c3*1-3-7-17(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;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2
InChIKeySKZWFYFFTOHWQP-UHFFFAOYSA-L
XLogP12.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.19
LogP ≤ 512.36
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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Frequently Asked Questions

What is the IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride?
The IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride (CID 11980975) is tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride.
What is the SMILES notation for tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride?
The canonical SMILES for tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride is [Cl-].[Cl-].[Ru+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride?
The InChIKey is SKZWFYFFTOHWQP-UHFFFAOYSA-L. The full InChI is InChI=1S/3C24H16N2.2ClH.Ru/c3*1-3-7-17(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;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2.
What are the key properties of tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride?
tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride has a molecular weight of 1169.19 g/mol, XLogP of 12.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,7-diphenyl-1,10-phenanthroline);ruthenium(2+);dichloride is sourced from PubChem (CID 11980975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).