dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium

C88H56Cl2N10O8Ru2 — CID 161163604

IUPACdichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium
SMILESCl[Ru]Cl.O=COc1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=COc1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C20H12N2O4.2C18H12N2.C12H8N2.2ClH.2Ru/c2*23-11-26-19-10-18(22-16-8-4-2-6-13(16)19)17-9-14(20(24)25)12-5-1-3-7-15(12)21-17;2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h2*1-11H,(H,24,25);2*1-12H;1-8H;2*1H;;/q;;;;;;;;+2/p-2
InChIKeyUQFWKWKEUVOQBW-UHFFFAOYSA-L
MW1654.52 g/mol
LogP20.42
Rot. Bonds10

About dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium

dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium (PubChem CID 161163604) has the molecular formula C88H56Cl2N10O8Ru2 and a molecular weight of 1654.52 g/mol. Its IUPAC name is dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium.

Molecular Properties

Compound Namedichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium
PubChem CID161163604
Molecular FormulaC88H56Cl2N10O8Ru2
Molecular Weight1654.52 g/mol
Exact Mass1654.17
IUPAC Namedichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium
SMILESCl[Ru]Cl.O=COc1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=COc1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C20H12N2O4.2C18H12N2.C12H8N2.2ClH.2Ru/c2*23-11-26-19-10-18(22-16-8-4-2-6-13(16)19)17-9-14(20(24)25)12-5-1-3-7-15(12)21-17;2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h2*1-11H,(H,24,25);2*1-12H;1-8H;2*1H;;/q;;;;;;;;+2/p-2
InChIKeyUQFWKWKEUVOQBW-UHFFFAOYSA-L
XLogP20.42
TPSA256.10 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001654.52
LogP ≤ 520.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
CID 58321412
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid;[2-(4-formyloxyquinolin-2-yl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
CID 58321420
4,6-bis(1,10-phenanthrolin-2-yl)benzene-1,3-dicarboxylic acid
CID 118448774
copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
CID 158944802
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
azanium 2-(4-carboxy-2-pyridinyl)quinoline-4-carboxylic acid
CID 101438368
2,2-dichloroacetic acid;quinoline
CID 173189076
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium?
The IUPAC name of dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium (CID 161163604) is dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium.
What is the SMILES notation for dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium?
The canonical SMILES for dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium is Cl[Ru]Cl.O=COc1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.O=COc1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12.[Ru].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium?
The InChIKey is UQFWKWKEUVOQBW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H12N2O4.2C18H12N2.C12H8N2.2ClH.2Ru/c2*23-11-26-19-10-18(22-16-8-4-2-6-13(16)19)17-9-14(20(24)25)12-5-1-3-7-15(12)21-17;2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h2*1-11H,(H,24,25);2*1-12H;1-8H;2*1H;;/q;;;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium?
dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium has a molecular weight of 1654.52 g/mol, XLogP of 20.42, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(2-(4-formyloxyquinolin-2-yl)quinoline-4-carboxylic acid);1,10-phenanthroline;bis(2-quinolin-2-ylquinoline);ruthenium is sourced from PubChem (CID 161163604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).