bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)

C42H36N2O12Ru — CID 11848852

IUPACbis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
SMILESCOc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccccc1.COc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccccc1.[Ru+2]
InChIInChI=1S/2C21H19NO6.Ru/c2*1-13-16(11-20(25)28-12-19(23)24)17-10-15(27-2)8-9-18(17)22(13)21(26)14-6-4-3-5-7-14;/h2*3-10H,11-12H2,1-2H3,(H,23,24);/q;;+2/p-2
InChIKeyRPEIPWADTRKIAO-UHFFFAOYSA-L
MW861.82 g/mol
LogP2.96
Rot. Bonds12

About bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)

bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+) (PubChem CID 11848852) has the molecular formula C42H36N2O12Ru and a molecular weight of 861.82 g/mol. Its IUPAC name is bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+).

Molecular Properties

Compound Namebis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
PubChem CID11848852
Molecular FormulaC42H36N2O12Ru
Molecular Weight861.82 g/mol
Exact Mass862.13
IUPAC Namebis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
SMILESCOc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccccc1.COc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccccc1.[Ru+2]
InChIInChI=1S/2C21H19NO6.Ru/c2*1-13-16(11-20(25)28-12-19(23)24)17-10-15(27-2)8-9-18(17)22(13)21(26)14-6-4-3-5-7-14;/h2*3-10H,11-12H2,1-2H3,(H,23,24);/q;;+2/p-2
InChIKeyRPEIPWADTRKIAO-UHFFFAOYSA-L
XLogP2.96
TPSA195.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.82
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
zinc;bis(2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetate);dihydrate
CID 11848042
dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);bis(pyridine)
CID 11983167
(2S)-3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-phenylpropanoic acid
CID 12606305
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2569721
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 44713687
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531
2-[5-methoxy-2-methyl-1-(4-nitrobenzoyl)indol-3-yl]acetic acid
CID 12845005
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid;pyridine-3-carboxamide;dihydrate
CID 139049778
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(2-amino-2-oxo-1-phenylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 16596434

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)?
The IUPAC name of bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+) (CID 11848852) is bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+).
What is the SMILES notation for bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)?
The canonical SMILES for bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+) is COc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccccc1.COc1ccc2c(c1)c(CC(=O)OCC(=O)[O-])c(C)n2C(=O)c1ccccc1.[Ru+2].
What is the InChIKey of bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)?
The InChIKey is RPEIPWADTRKIAO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H19NO6.Ru/c2*1-13-16(11-20(25)28-12-19(23)24)17-10-15(27-2)8-9-18(17)22(13)21(26)14-6-4-3-5-7-14;/h2*3-10H,11-12H2,1-2H3,(H,23,24);/q;;+2/p-2.
What are the key properties of bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)?
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+) has a molecular weight of 861.82 g/mol, XLogP of 2.96, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+) is sourced from PubChem (CID 11848852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).