aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate

C22H11AlO6 — CID 54682510

IUPACaluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2c(-c2c([O-])c(C(=O)O)cc3ccccc23)c1[O-].[Al+3]
InChIInChI=1S/C22H14O6.Al/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;/h1-10,23-24H,(H,25,26)(H,27,28);/q;+3/p-3
InChIKeyHFTOIUXAOCKTMP-UHFFFAOYSA-K
MW398.31 g/mol
LogP1.49
Rot. Bonds3

About aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate

aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate (PubChem CID 54682510) has the molecular formula C22H11AlO6 and a molecular weight of 398.31 g/mol. Its IUPAC name is aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate.

Molecular Properties

Compound Namealuminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
PubChem CID54682510
Molecular FormulaC22H11AlO6
Molecular Weight398.31 g/mol
Exact Mass398.04
IUPAC Namealuminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2c(-c2c([O-])c(C(=O)O)cc3ccccc23)c1[O-].[Al+3]
InChIInChI=1S/C22H14O6.Al/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;/h1-10,23-24H,(H,25,26)(H,27,28);/q;+3/p-3
InChIKeyHFTOIUXAOCKTMP-UHFFFAOYSA-K
XLogP1.49
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate?
The IUPAC name of aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate (CID 54682510) is aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate.
What is the SMILES notation for aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate?
The canonical SMILES for aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate is O=C([O-])c1cc2ccccc2c(-c2c([O-])c(C(=O)O)cc3ccccc23)c1[O-].[Al+3].
What is the InChIKey of aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate?
The InChIKey is HFTOIUXAOCKTMP-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H14O6.Al/c23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;/h1-10,23-24H,(H,25,26)(H,27,28);/q;+3/p-3.
What are the key properties of aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate?
aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate has a molecular weight of 398.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum 4-(3-carboxy-2-oxidonaphthalen-1-yl)-3-oxidonaphthalene-2-carboxylate is sourced from PubChem (CID 54682510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).