tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))

C52H44O10Ru2 — CID 139130504

IUPACtetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.[Ru+2].[Ru+2]
InChIInChI=1S/4C11H8O2.2C4H8O.2Ru/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-4-5-3-1;;/h4*1-7H,(H,12,13);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyQDXGDYGXTTVCAZ-UHFFFAOYSA-J
MW1031.05 g/mol
LogP6.40
Rot. Bonds4

About tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))

tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)) (PubChem CID 139130504) has the molecular formula C52H44O10Ru2 and a molecular weight of 1031.05 g/mol. Its IUPAC name is tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)).

Molecular Properties

Compound Nametetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))
PubChem CID139130504
Molecular FormulaC52H44O10Ru2
Molecular Weight1031.05 g/mol
Exact Mass1032.10
IUPAC Nametetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))
SMILESC1CCOC1.C1CCOC1.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.[Ru+2].[Ru+2]
InChIInChI=1S/4C11H8O2.2C4H8O.2Ru/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-4-5-3-1;;/h4*1-7H,(H,12,13);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyQDXGDYGXTTVCAZ-UHFFFAOYSA-J
XLogP6.40
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.05
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(Benzoyloxymethyl)phenanthren-4-yl]methyl benzoate
CID 349015
Tetraphenylphosphonium tetrakis(1-naphthoyloxy)borate
CID 88189571
Oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
CID 139142716
Oxolane;bis(ruthenium(2+));bis(ruthenium(3+));octakis(2-(trifluoromethyl)benzoate);ditetrafluoroborate
CID 139142717
Tetrakis(2,6-bis(trifluoromethyl)benzoate);oxolane;tetrakis(ruthenium(2+));tetraacetate
CID 139168352
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;propanoate;bis(ruthenium(2+))
CID 139168353
Bis(2,6-bis(trifluoromethyl)benzoate);butanoate;oxolane;bis(ruthenium(2+))
CID 139168354
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;bis(pentanoate);bis(ruthenium(2+))
CID 139168355
Bis(2,6-bis(trifluoromethyl)benzoate);bis(2,2-dimethylpropanoate);oxolane;bis(ruthenium(2+))
CID 139168356
[10-(Benzoyloxymethyl)anthracen-9-yl]methyl benzoate
CID 23018366
Tetramethyl 4,4',4'',4'''-(pyrene-1,3,6,8-tetrayl)tetrabenzoate
CID 101808574
Vanadyl naphthenate, 35% in naphthenic acid (2.8-3.2% V)
CID 24884468

Frequently Asked Questions

What is the IUPAC name of tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))?
The IUPAC name of tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)) (CID 139130504) is tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)).
What is the SMILES notation for tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))?
The canonical SMILES for tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)) is C1CCOC1.C1CCOC1.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.[Ru+2].[Ru+2].
What is the InChIKey of tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))?
The InChIKey is QDXGDYGXTTVCAZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H8O2.2C4H8O.2Ru/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2-4-5-3-1;;/h4*1-7H,(H,12,13);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+))?
tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)) has a molecular weight of 1031.05 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(naphthalene-1-carboxylate);oxolane;bis(ruthenium(2+)) is sourced from PubChem (CID 139130504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).