carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium

C29H25IrN8Ru- — CID 59184390

About carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium

carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium (PubChem CID 59184390) has the molecular formula C29H25IrN8Ru- and a molecular weight of 778.86 g/mol. Its IUPAC name is carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium.

Molecular Properties

• Compound Name: carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
• PubChem CID: 59184390
• Molecular Formula: C29H25IrN8Ru-
• Molecular Weight: 778.86 g/mol
• Exact Mass: 780.09
• IUPAC Name: carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
• SMILES: [CH3-].[Ir].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1
• InChI: InChI=1S/2C10H8N2.C8H6N4.CH3.Ir.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;;/h2*1-8H;1-6H;1H3;;/q;;;-1
• InChIKey: FUUZZDOPBJPMPI-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.86
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

The IUPAC name of carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium (CID 59184390) is carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium.

What is the SMILES notation for carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

The canonical SMILES for carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium is [CH3-].[Ir].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1.

What is the InChIKey of carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

The InChIKey is FUUZZDOPBJPMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C8H6N4.CH3.Ir.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-7(10-4-1)8-11-5-2-6-12-8;;;/h2*1-8H;1-6H;1H3;;/q;;;-1;;.

What are the key properties of carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium has a molecular weight of 778.86 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium is sourced from PubChem (CID 59184390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).