3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium

C43H32N8O2Ru — CID 59456370

About 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59456370) has the molecular formula C43H32N8O2Ru and a molecular weight of 793.85 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

• Compound Name: 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium
• PubChem CID: 59456370
• Molecular Formula: C43H32N8O2Ru
• Molecular Weight: 793.85 g/mol
• Exact Mass: 794.17
• IUPAC Name: 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium
• SMILES: Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C23H16N4O2.2C10H8N2.Ru/c1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-10,16H,11H2,1H3,(H,26,27);2*1-8H
• InChIKey: XFLVBRVUYHAZLQ-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 132.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.85
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium?

The IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59456370) is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium.

What is the SMILES notation for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium?

The canonical SMILES for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium is Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium?

The InChIKey is XFLVBRVUYHAZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2.2C10H8N2.Ru/c1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2-10,16H,11H2,1H3,(H,26,27);2*1-8H;.

What are the key properties of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium?

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 793.85 g/mol, XLogP of 8.61, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59456370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).