4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid

C34H22O4 — CID 101422932

IUPAC4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C34H22O4/c35-33(36)23-15-17-29(31(19-23)27-13-5-9-21-7-1-3-11-25(21)27)30-18-16-24(34(37)38)20-32(30)28-14-6-10-22-8-2-4-12-26(22)28/h1-20H,(H,35,36)(H,37,38)
InChIKeySYOVNBOVAKFCDB-UHFFFAOYSA-N
MW494.55 g/mol
LogP8.39
Rot. Bonds5

About 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid

4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid (PubChem CID 101422932) has the molecular formula C34H22O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid.

Molecular Properties

Compound Name4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid
PubChem CID101422932
Molecular FormulaC34H22O4
Molecular Weight494.55 g/mol
Exact Mass494.15
IUPAC Name4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C34H22O4/c35-33(36)23-15-17-29(31(19-23)27-13-5-9-21-7-1-3-11-25(21)27)30-18-16-24(34(37)38)20-32(30)28-14-6-10-22-8-2-4-12-26(22)28/h1-20H,(H,35,36)(H,37,38)
InChIKeySYOVNBOVAKFCDB-UHFFFAOYSA-N
XLogP8.39
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic 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

Bexarotene
CID 82146
9-Anthracenecarboxylic acid
CID 2201
1-Naphthoic acid
CID 6847
Arotinoid acid
CID 5289501
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
2-Naphthoic acid
CID 7123
2,6-Naphthalenedicarboxylic acid
CID 14357
Ahpn
CID 135411
1,4,5,8-Naphthalenetetracarboxylic acid
CID 31422
2-Anthraquinonecarboxylic acid
CID 67030
Bms-181156
CID 445576
Zinc naphthenate
CID 13879901

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid?
The IUPAC name of 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid (CID 101422932) is 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid.
What is the SMILES notation for 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid?
The canonical SMILES for 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid is O=C(O)c1ccc(-c2ccc(C(=O)O)cc2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid?
The InChIKey is SYOVNBOVAKFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O4/c35-33(36)23-15-17-29(31(19-23)27-13-5-9-21-7-1-3-11-25(21)27)30-18-16-24(34(37)38)20-32(30)28-14-6-10-22-8-2-4-12-26(22)28/h1-20H,(H,35,36)(H,37,38).
What are the key properties of 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid?
4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid has a molecular weight of 494.55 g/mol, XLogP of 8.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxy-2-naphthalen-1-ylphenyl)-3-naphthalen-1-ylbenzoic acid is sourced from PubChem (CID 101422932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).