bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane

C49H46N6O4RuSi — CID 140640951

About bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane

bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane (PubChem CID 140640951) has the molecular formula C49H46N6O4RuSi and a molecular weight of 912.10 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane.

Molecular Properties

• Compound Name: bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane
• PubChem CID: 140640951
• Molecular Formula: C49H46N6O4RuSi
• Molecular Weight: 912.10 g/mol
• Exact Mass: 912.24
• IUPAC Name: bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane
• SMILES: CO[Si](OC)(OC)c1ccc(COc2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C29H30N2O4Si.2C10H8N2.Ru/c1-22-15-17-30-28(19-22)29-20-24(16-18-31-29)6-5-23-7-11-26(12-8-23)35-21-25-9-13-27(14-10-25)36(32-2,33-3)34-4;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h5-20H,21H2,1-4H3;2*1-8H;/b6-5+
• InChIKey: JWEBGRJJWHYWDL-FWMLTEASSA-N
• XLogP: 9.57
• TPSA: 114.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.10
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?

The IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane (CID 140640951) is bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane.

What is the SMILES notation for bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?

The canonical SMILES for bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane is CO[Si](OC)(OC)c1ccc(COc2ccc(/C=C/c3ccnc(-c4cc(C)ccn4)c3)cc2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?

The InChIKey is JWEBGRJJWHYWDL-FWMLTEASSA-N. The full InChI is InChI=1S/C29H30N2O4Si.2C10H8N2.Ru/c1-22-15-17-30-28(19-22)29-20-24(16-18-31-29)6-5-23-7-11-26(12-8-23)35-21-25-9-13-27(14-10-25)36(32-2,33-3)34-4;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h5-20H,21H2,1-4H3;2*1-8H;/b6-5+;;;.

What are the key properties of bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane?

bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane has a molecular weight of 912.10 g/mol, XLogP of 9.57, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-pyridin-2-ylpyridine);ruthenium;trimethoxy-[4-[[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenoxy]methyl]phenyl]silane is sourced from PubChem (CID 140640951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).