sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate

C28H27Cl7N8NaORu2 — CID 157438317

IUPACsodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate
SMILESCl[Ru](Cl)(Cl)Cl.Cl[Ru](Cl)Cl.O.[H-].[Na+].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/4C7H6N2.7ClH.Na.H2O.2Ru.H/c4*1-2-4-7-6(3-1)5-8-9-7;;;;;;;;;;;;/h4*1-5H,(H,8,9);7*1H;;1H2;;;/q;;;;;;;;;;;+1;;+3;+4;-1/p-7
InChIKeyCTHKELQMGCNUDN-UHFFFAOYSA-G
MW964.88 g/mol
LogP7.36
Rot. Bonds

About sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate

sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate (PubChem CID 157438317) has the molecular formula C28H27Cl7N8NaORu2 and a molecular weight of 964.88 g/mol. Its IUPAC name is sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate.

Molecular Properties

Compound Namesodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate
PubChem CID157438317
Molecular FormulaC28H27Cl7N8NaORu2
Molecular Weight964.88 g/mol
Exact Mass962.81
IUPAC Namesodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate
SMILESCl[Ru](Cl)(Cl)Cl.Cl[Ru](Cl)Cl.O.[H-].[Na+].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/4C7H6N2.7ClH.Na.H2O.2Ru.H/c4*1-2-4-7-6(3-1)5-8-9-7;;;;;;;;;;;;/h4*1-5H,(H,8,9);7*1H;;1H2;;;/q;;;;;;;;;;;+1;;+3;+4;-1/p-7
InChIKeyCTHKELQMGCNUDN-UHFFFAOYSA-G
XLogP7.36
TPSA146.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.88
LogP ≤ 57.36
H-Bond Donors ≤ 54
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
dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide
CID 16684389
bis(1H-indazole);tetrachlororuthenium
CID 59281622
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065503
CID 139065503
CID 139065798
CID 139065798
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate?
The IUPAC name of sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate (CID 157438317) is sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate.
What is the SMILES notation for sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate?
The canonical SMILES for sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate is Cl[Ru](Cl)(Cl)Cl.Cl[Ru](Cl)Cl.O.[H-].[Na+].c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate?
The InChIKey is CTHKELQMGCNUDN-UHFFFAOYSA-G. The full InChI is InChI=1S/4C7H6N2.7ClH.Na.H2O.2Ru.H/c4*1-2-4-7-6(3-1)5-8-9-7;;;;;;;;;;;;/h4*1-5H,(H,8,9);7*1H;;1H2;;;/q;;;;;;;;;;;+1;;+3;+4;-1/p-7.
What are the key properties of sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate?
sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate has a molecular weight of 964.88 g/mol, XLogP of 7.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;tetrakis(1H-indazole);tetrachlororuthenium;trichlororuthenium;hydrate is sourced from PubChem (CID 157438317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).