[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium

C40H30N8ORu — CID 140775197

About [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium

[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 140775197) has the molecular formula C40H30N8ORu and a molecular weight of 739.81 g/mol. Its IUPAC name is [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

• Compound Name: [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium
• PubChem CID: 140775197
• Molecular Formula: C40H30N8ORu
• Molecular Weight: 739.81 g/mol
• Exact Mass: 740.16
• IUPAC Name: [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium
• SMILES: OCc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C20H14N4O.2C10H8N2.Ru/c25-11-12-5-1-2-6-13(12)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10,25H,11H2,(H,23,24);2*1-8H
• InChIKey: ZRTIVZAHGRRIDG-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 126.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.81
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium?

The IUPAC name of [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium (CID 140775197) is [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium.

What is the SMILES notation for [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium?

The canonical SMILES for [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium is OCc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium?

The InChIKey is ZRTIVZAHGRRIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O.2C10H8N2.Ru/c25-11-12-5-1-2-6-13(12)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10,25H,11H2,(H,23,24);2*1-8H;.

What are the key properties of [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium?

[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 739.81 g/mol, XLogP of 8.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenyl]methanol;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 140775197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).