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

C38H26N8Ru+2 — CID 56962242

IUPACbis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
SMILES[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4.2C10H8N2.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*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q;;;+2
InChIKeyYVXNAGNLAPDXJU-UHFFFAOYSA-N
MW695.75 g/mol
LogP8.16
Rot. Bonds2

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

bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) (PubChem CID 56962242) has the molecular formula C38H26N8Ru+2 and a molecular weight of 695.75 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+).

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
PubChem CID56962242
Molecular FormulaC38H26N8Ru+2
Molecular Weight695.75 g/mol
Exact Mass696.13
IUPAC Namebis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
SMILES[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4.2C10H8N2.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*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q;;;+2
InChIKeyYVXNAGNLAPDXJU-UHFFFAOYSA-N
XLogP8.16
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.75
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?
The IUPAC name of bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) (CID 56962242) is bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+).
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) is [Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?
The InChIKey is YVXNAGNLAPDXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4.2C10H8N2.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*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H;2*1-8H;/q;;;+2.
What are the key properties of bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)?
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) has a molecular weight of 695.75 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+) is sourced from PubChem (CID 56962242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).