tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))

C36H18O12Ru2 — CID 175019109

IUPACtris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
SMILESO=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Ru+3].[Ru+3]
InChIInChI=1S/3C12H8O4.2Ru/c3*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;/h3*1-6H,(H,13,14)(H,15,16);;/q;;;2*+3/p-6
InChIKeyPAGBVNXGOZAOAG-UHFFFAOYSA-H
MW844.67 g/mol
LogP-1.30
Rot. Bonds6

About tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))

tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)) (PubChem CID 175019109) has the molecular formula C36H18O12Ru2 and a molecular weight of 844.67 g/mol. Its IUPAC name is tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)).

Molecular Properties

Compound Nametris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
PubChem CID175019109
Molecular FormulaC36H18O12Ru2
Molecular Weight844.67 g/mol
Exact Mass845.89
IUPAC Nametris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
SMILESO=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Ru+3].[Ru+3]
InChIInChI=1S/3C12H8O4.2Ru/c3*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;/h3*1-6H,(H,13,14)(H,15,16);;/q;;;2*+3/p-6
InChIKeyPAGBVNXGOZAOAG-UHFFFAOYSA-H
XLogP-1.30
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.67
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

magnesium naphthalene-2,6-dicarboxylate
CID 67200509
anthracene-2,6-dicarboxylate
CID 86309851
potassium naphthalene-2-carboxylate
CID 23664129
anthracene-2-carboxylate
CID 11160355
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
CID 172907782
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
di(propan-2-yl)azanium;naphthalene-2-carboxylate
CID 21407073
terephthalate;vanadium(4+)
CID 157213578

Frequently Asked Questions

What is the IUPAC name of tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))?
The IUPAC name of tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)) (CID 175019109) is tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)).
What is the SMILES notation for tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))?
The canonical SMILES for tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)) is O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Ru+3].[Ru+3].
What is the InChIKey of tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))?
The InChIKey is PAGBVNXGOZAOAG-UHFFFAOYSA-H. The full InChI is InChI=1S/3C12H8O4.2Ru/c3*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;/h3*1-6H,(H,13,14)(H,15,16);;/q;;;2*+3/p-6.
What are the key properties of tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))?
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)) has a molecular weight of 844.67 g/mol, XLogP of -1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+)) is sourced from PubChem (CID 175019109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).