tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)

C62H50N12O6RuS2 — CID 173036609

IUPACtetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)
SMILESO=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H10N2O3S.4C10H8N2.Ru/c2*14-17(15,16)8-9-4-6-13-11(7-9)10-3-1-2-5-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-7H,8H2,(H,14,15,16);4*1-8H;/q;;;;;;+2/p-2
InChIKeyHPCRULFQGRNOJK-UHFFFAOYSA-L
MW1224.36 g/mol
LogP10.95
Rot. Bonds10

About tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)

tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) (PubChem CID 173036609) has the molecular formula C62H50N12O6RuS2 and a molecular weight of 1224.36 g/mol. Its IUPAC name is tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+).

Molecular Properties

Compound Nametetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)
PubChem CID173036609
Molecular FormulaC62H50N12O6RuS2
Molecular Weight1224.36 g/mol
Exact Mass1224.25
IUPAC Nametetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)
SMILESO=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H10N2O3S.4C10H8N2.Ru/c2*14-17(15,16)8-9-4-6-13-11(7-9)10-3-1-2-5-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-7H,8H2,(H,14,15,16);4*1-8H;/q;;;;;;+2/p-2
InChIKeyHPCRULFQGRNOJK-UHFFFAOYSA-L
XLogP10.95
TPSA269.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001224.36
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) with MolForge

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Launch Full Analysis

Related Compounds

diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane
CID 90058250
copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
trisodium;carbanide;bis(dichlororuthenium);1-methyl-4-propan-2-ylbenzene;tetrakis([2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanesulfonate);[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methanol;tris(4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid);ruthenium(2+)
CID 162238835
pyrrolo[3,2-b]azepine
CID 66934182
5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
CID 121355471
potassium pyridin-4-ylmethanesulfonate
CID 23670674
dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
CID 139126662
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
The IUPAC name of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) (CID 173036609) is tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+).
What is the SMILES notation for tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
The canonical SMILES for tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) is O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
The InChIKey is HPCRULFQGRNOJK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10N2O3S.4C10H8N2.Ru/c2*14-17(15,16)8-9-4-6-13-11(7-9)10-3-1-2-5-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-7H,8H2,(H,14,15,16);4*1-8H;/q;;;;;;+2/p-2.
What are the key properties of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) has a molecular weight of 1224.36 g/mol, XLogP of 10.95, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) is sourced from PubChem (CID 173036609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).