bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)

C38H22N12Ru+2 — CID 56973553

About bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)

bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) (PubChem CID 56973553) has the molecular formula C38H22N12Ru+2 and a molecular weight of 747.75 g/mol. Its IUPAC name is bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+).

Molecular Properties

• Compound Name: bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
• PubChem CID: 56973553
• Molecular Formula: C38H22N12Ru+2
• Molecular Weight: 747.75 g/mol
• Exact Mass: 748.11
• IUPAC Name: bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
• SMILES: [Ru+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1
• InChI: InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-10H;2*1-6H;/q;;;+2
• InChIKey: PIKVAZQLFXBUSD-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.75
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

The IUPAC name of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) (CID 56973553) is bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+).

What is the SMILES notation for bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

The canonical SMILES for bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) is [Ru+2].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnc2c(ccc3nccnc32)n1.c1cnc2c(ccc3nccnc32)n1.

What is the InChIKey of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

The InChIKey is PIKVAZQLFXBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-10H;2*1-6H;/q;;;+2.

What are the key properties of bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?

bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) has a molecular weight of 747.75 g/mol, XLogP of 7.02, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) is sourced from PubChem (CID 56973553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).