sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)

C35H31Cl8N10NaRu2+2 — CID 158895508

IUPACsodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)
SMILESCl[Ru](Cl)(Cl)Cl.Cl[Ru](Cl)(Cl)Cl.[Na+].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/5C7H6N2.8ClH.Na.2Ru/c5*1-2-4-7-6(3-1)5-8-9-7;;;;;;;;;;;/h5*1-5H,(H,8,9);8*1H;;;/q;;;;;;;;;;;;;+1;2*+4/p-7
InChIKeyJETYUYCKPWXCKB-UHFFFAOYSA-G
MW1100.46 g/mol
LogP9.75
Rot. Bonds

About sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)

sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium) (PubChem CID 158895508) has the molecular formula C35H31Cl8N10NaRu2+2 and a molecular weight of 1100.46 g/mol. Its IUPAC name is sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium).

Molecular Properties

Compound Namesodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)
PubChem CID158895508
Molecular FormulaC35H31Cl8N10NaRu2+2
Molecular Weight1100.46 g/mol
Exact Mass1097.82
IUPAC Namesodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)
SMILESCl[Ru](Cl)(Cl)Cl.Cl[Ru](Cl)(Cl)Cl.[Na+].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/5C7H6N2.8ClH.Na.2Ru/c5*1-2-4-7-6(3-1)5-8-9-7;;;;;;;;;;;/h5*1-5H,(H,8,9);8*1H;;;/q;;;;;;;;;;;;;+1;2*+4/p-7
InChIKeyJETYUYCKPWXCKB-UHFFFAOYSA-G
XLogP9.75
TPSA144.65 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.46
LogP ≤ 59.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

It-139
CID 25134754
KP-1019
CID 133083029
RuCl4(1H-indazole)2
CID 9806062
tris(1H-indazole);tetrachlororuthenium;hydrate
CID 129643357
sodium;1H-indazole;ruthenium(3+);tetrachloride
CID 10481153
bis(1H-indazole);tetrachlororuthenium
CID 59281622
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065503
CID 139065503
CID 139065798
CID 139065798
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
(Oc-6-11)-tetrachlorobis(1H-indazole-kappaN2)ruthenate(1-)
CID 49787351

Frequently Asked Questions

What is the IUPAC name of sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)?
The IUPAC name of sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium) (CID 158895508) is sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium).
What is the SMILES notation for sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)?
The canonical SMILES for sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium) is Cl[Ru](Cl)(Cl)Cl.Cl[Ru](Cl)(Cl)Cl.[Na+].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)?
The InChIKey is JETYUYCKPWXCKB-UHFFFAOYSA-G. The full InChI is InChI=1S/5C7H6N2.8ClH.Na.2Ru/c5*1-2-4-7-6(3-1)5-8-9-7;;;;;;;;;;;/h5*1-5H,(H,8,9);8*1H;;;/q;;;;;;;;;;;;;+1;2*+4/p-7.
What are the key properties of sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium)?
sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium) has a molecular weight of 1100.46 g/mol, XLogP of 9.75, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tetrakis(1H-indazole);1H-indazol-2-ium;bis(tetrachlororuthenium) is sourced from PubChem (CID 158895508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).