bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride

C38H32Cl2N6O2Ru — CID 139173479

IUPACbis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Oc1ccnc(-c2cc(O)ccn2)c1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C14H12N2.C10H8N2O2.2ClH.Ru/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;;;/h2*3-8H,1-2H3;1-6H,(H,11,13)(H,12,14);2*1H;/q;;;;;+2/p-2
InChIKeyXMWXKWYLSGKIPP-UHFFFAOYSA-L
MW776.69 g/mol
LogP2.36
Rot. Bonds1

About bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride

bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride (PubChem CID 139173479) has the molecular formula C38H32Cl2N6O2Ru and a molecular weight of 776.69 g/mol. Its IUPAC name is bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride.

Molecular Properties

Compound Namebis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride
PubChem CID139173479
Molecular FormulaC38H32Cl2N6O2Ru
Molecular Weight776.69 g/mol
Exact Mass776.10
IUPAC Namebis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Oc1ccnc(-c2cc(O)ccn2)c1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C14H12N2.C10H8N2O2.2ClH.Ru/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;;;/h2*3-8H,1-2H3;1-6H,(H,11,13)(H,12,14);2*1H;/q;;;;;+2/p-2
InChIKeyXMWXKWYLSGKIPP-UHFFFAOYSA-L
XLogP2.36
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500776.69
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride?
The IUPAC name of bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride (CID 139173479) is bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride.
What is the SMILES notation for bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride?
The canonical SMILES for bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride is Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Oc1ccnc(-c2cc(O)ccn2)c1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride?
The InChIKey is XMWXKWYLSGKIPP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12N2.C10H8N2O2.2ClH.Ru/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;;;/h2*3-8H,1-2H3;1-6H,(H,11,13)(H,12,14);2*1H;/q;;;;;+2/p-2.
What are the key properties of bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride?
bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride has a molecular weight of 776.69 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,9-dimethyl-1,10-phenanthroline);2-(4-hydroxy-2-pyridinyl)pyridin-4-ol;ruthenium(2+);dichloride is sourced from PubChem (CID 139173479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).