tetrakis(naphthalene-2-carboxylate);vanadium(4+)

C44H28O8V — CID 24884468

IUPACtetrakis(naphthalene-2-carboxylate);vanadium(4+)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[V+4]
InChIInChI=1S/4C11H8O2.V/c4*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h4*1-7H,(H,12,13);/q;;;;+4/p-4
InChIKeyDLHFCHPXIYNOOK-UHFFFAOYSA-J
MW735.64 g/mol
LogP4.81
Rot. Bonds4

About tetrakis(naphthalene-2-carboxylate);vanadium(4+)

tetrakis(naphthalene-2-carboxylate);vanadium(4+) (PubChem CID 24884468) has the molecular formula C44H28O8V and a molecular weight of 735.64 g/mol. Its IUPAC name is tetrakis(naphthalene-2-carboxylate);vanadium(4+).

Molecular Properties

Compound Nametetrakis(naphthalene-2-carboxylate);vanadium(4+)
PubChem CID24884468
Molecular FormulaC44H28O8V
Molecular Weight735.64 g/mol
Exact Mass735.12
IUPAC Nametetrakis(naphthalene-2-carboxylate);vanadium(4+)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[V+4]
InChIInChI=1S/4C11H8O2.V/c4*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h4*1-7H,(H,12,13);/q;;;;+4/p-4
InChIKeyDLHFCHPXIYNOOK-UHFFFAOYSA-J
XLogP4.81
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500735.64
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis(naphthalene-2-carboxylate);vanadium(4+)?
The IUPAC name of tetrakis(naphthalene-2-carboxylate);vanadium(4+) (CID 24884468) is tetrakis(naphthalene-2-carboxylate);vanadium(4+).
What is the SMILES notation for tetrakis(naphthalene-2-carboxylate);vanadium(4+)?
The canonical SMILES for tetrakis(naphthalene-2-carboxylate);vanadium(4+) is O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[V+4].
What is the InChIKey of tetrakis(naphthalene-2-carboxylate);vanadium(4+)?
The InChIKey is DLHFCHPXIYNOOK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H8O2.V/c4*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h4*1-7H,(H,12,13);/q;;;;+4/p-4.
What are the key properties of tetrakis(naphthalene-2-carboxylate);vanadium(4+)?
tetrakis(naphthalene-2-carboxylate);vanadium(4+) has a molecular weight of 735.64 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(naphthalene-2-carboxylate);vanadium(4+) is sourced from PubChem (CID 24884468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).