2,3-dibenzylnaphthalene-1-carboxylic acid

C25H20O2 — CID 141413353

IUPAC2,3-dibenzylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(Cc2ccccc2)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C25H20O2/c26-25(27)24-22-14-8-7-13-20(22)17-21(15-18-9-3-1-4-10-18)23(24)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,26,27)
InChIKeySXULYIUBEWFADJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.72
Rot. Bonds5

About 2,3-dibenzylnaphthalene-1-carboxylic acid

2,3-dibenzylnaphthalene-1-carboxylic acid (PubChem CID 141413353) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2,3-dibenzylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dibenzylnaphthalene-1-carboxylic acid
PubChem CID141413353
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name2,3-dibenzylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(Cc2ccccc2)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C25H20O2/c26-25(27)24-22-14-8-7-13-20(22)17-21(15-18-9-3-1-4-10-18)23(24)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,26,27)
InChIKeySXULYIUBEWFADJ-UHFFFAOYSA-N
XLogP5.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dibenzylnaphthalene-1-carboxylic acid 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

4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
CID 176915963
2-(2-phenylethyl)naphthalene-1-carboxylic acid
CID 18956874
azane;2,3-dihexylnaphthalene-1-carboxylic acid
CID 70170579
calcium;2,3-di(nonyl)naphthalene-1-carboxylic acid;hydride
CID 174547985
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
anthracene-9-carboxylic acid;dibromo(butyl)silane
CID 173129114
2-benzyl-3,4,5,6-tetrahydroxybenzoic acid
CID 169224256
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
3-benzyl-1-prop-2-enylnaphthalen-2-ol
CID 164665597
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226
2-methyl-6-[(3-methylnaphthalen-1-yl)methyl]benzoic acid
CID 125468187

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzylnaphthalene-1-carboxylic acid?
The IUPAC name of 2,3-dibenzylnaphthalene-1-carboxylic acid (CID 141413353) is 2,3-dibenzylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,3-dibenzylnaphthalene-1-carboxylic acid?
The canonical SMILES for 2,3-dibenzylnaphthalene-1-carboxylic acid is O=C(O)c1c(Cc2ccccc2)c(Cc2ccccc2)cc2ccccc12.
What is the InChIKey of 2,3-dibenzylnaphthalene-1-carboxylic acid?
The InChIKey is SXULYIUBEWFADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2/c26-25(27)24-22-14-8-7-13-20(22)17-21(15-18-9-3-1-4-10-18)23(24)16-19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,26,27).
What are the key properties of 2,3-dibenzylnaphthalene-1-carboxylic acid?
2,3-dibenzylnaphthalene-1-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 141413353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).