6-naphthalen-1-ylnaphthalene-2-carboxylic acid

C21H14O2 — CID 57264247

IUPAC6-naphthalen-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C21H14O2/c22-21(23)18-11-9-15-12-17(10-8-16(15)13-18)20-7-3-5-14-4-1-2-6-19(14)20/h1-13H,(H,22,23)
InChIKeyVXOZHOZBHLXCCK-UHFFFAOYSA-N
MW298.34 g/mol
LogP5.36
Rot. Bonds2

About 6-naphthalen-1-ylnaphthalene-2-carboxylic acid

6-naphthalen-1-ylnaphthalene-2-carboxylic acid (PubChem CID 57264247) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-naphthalen-1-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-naphthalen-1-ylnaphthalene-2-carboxylic acid
PubChem CID57264247
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name6-naphthalen-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C21H14O2/c22-21(23)18-11-9-15-12-17(10-8-16(15)13-18)20-7-3-5-14-4-1-2-6-19(14)20/h1-13H,(H,22,23)
InChIKeyVXOZHOZBHLXCCK-UHFFFAOYSA-N
XLogP5.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
2-naphthalen-1-ylanthracene
CID 2748705
naphthalene-2-carboxylic acid
CID 175967775
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
hexacene-2-carboxylic acid
CID 87430666
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 6-naphthalen-1-ylnaphthalene-2-carboxylic acid (CID 57264247) is 6-naphthalen-1-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-naphthalen-1-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 6-naphthalen-1-ylnaphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(-c3cccc4ccccc34)ccc2c1.
What is the InChIKey of 6-naphthalen-1-ylnaphthalene-2-carboxylic acid?
The InChIKey is VXOZHOZBHLXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c22-21(23)18-11-9-15-12-17(10-8-16(15)13-18)20-7-3-5-14-4-1-2-6-19(14)20/h1-13H,(H,22,23).
What are the key properties of 6-naphthalen-1-ylnaphthalene-2-carboxylic acid?
6-naphthalen-1-ylnaphthalene-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 57264247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).