(molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))

C288H144Mo24O120 — CID 139115037

IUPAC(molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))
SMILESO=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/24C12H8O4.24Mo.24O/c24*13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h24*1-6H,(H,13,14)(H,15,16);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;24*+4;24*-2/p-48
InChIKeyGLIAPGZHPQIFOF-UHFFFAOYSA-A
MW7826.76 g/mol
LogP-13.31
Rot. Bonds48

About (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))

(molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)) (PubChem CID 139115037) has the molecular formula C288H144Mo24O120 and a molecular weight of 7826.76 g/mol. Its IUPAC name is (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)).

Molecular Properties

Compound Name(molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))
PubChem CID139115037
Molecular FormulaC288H144Mo24O120
Molecular Weight7826.76 g/mol
Exact Mass7870.25
IUPAC Name(molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))
SMILESO=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/24C12H8O4.24Mo.24O/c24*13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h24*1-6H,(H,13,14)(H,15,16);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;24*+4;24*-2/p-48
InChIKeyGLIAPGZHPQIFOF-UHFFFAOYSA-A
XLogP-13.31
TPSA2610.24 Ų
H-Bond Donors
H-Bond Acceptors96
Rotatable Bonds48
Heavy Atoms432
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5007826.76
LogP ≤ 5-13.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1096

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Related Compounds

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CID 10990114
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CID 21264818
Lead naphthenates
CID 25021832
Calcium naphthenate
CID 20138397
6-(3-Adamantan-1-yl-4-carboxy-phenyl)-naphthalene-2-carboxylic acid
CID 10788561
1,2,4,5-Tetrakis(4-carboxyphenyl)benzene
CID 45377724
4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzoic acid
CID 90005588
Iron naphthenate
CID 14048875
[5-(Benzoyloxymethyl)phenanthren-4-yl]methyl benzoate
CID 349015
4-[(E)-2-(5,8-diphenylnaphthalen-2-yl)ethenyl]benzoic acid
CID 86302393

Frequently Asked Questions

What is the IUPAC name of (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))?
The IUPAC name of (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)) (CID 139115037) is (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)).
What is the SMILES notation for (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))?
The canonical SMILES for (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)) is O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.O=C([O-])c1ccc2ccc(C(=O)[O-])cc2c1.[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))?
The InChIKey is GLIAPGZHPQIFOF-UHFFFAOYSA-A. The full InChI is InChI=1S/24C12H8O4.24Mo.24O/c24*13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h24*1-6H,(H,13,14)(H,15,16);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;24*+4;24*-2/p-48.
What are the key properties of (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-))?
(molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)) has a molecular weight of 7826.76 g/mol, XLogP of -13.31, 48 rotatable bonds, 0 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for (molybdenum(4+));(naphthalene-2,7-dicarboxylate);(oxygen(2-)) is sourced from PubChem (CID 139115037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).