[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid

C26H20BNO2 — CID 57456800

IUPAC[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid
SMILESOB(O)c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C26H20BNO2/c29-27(30)22-15-13-21-18-24(16-14-20(21)17-22)28(23-9-2-1-3-10-23)26-12-6-8-19-7-4-5-11-25(19)26/h1-18,29-30H
InChIKeyWASZITZMRSDGSB-UHFFFAOYSA-N
MW389.26 g/mol
LogP5.14
Rot. Bonds4

About [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid

[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid (PubChem CID 57456800) has the molecular formula C26H20BNO2 and a molecular weight of 389.26 g/mol. Its IUPAC name is [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid
PubChem CID57456800
Molecular FormulaC26H20BNO2
Molecular Weight389.26 g/mol
Exact Mass389.16
IUPAC Name[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid
SMILESOB(O)c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1
InChIInChI=1S/C26H20BNO2/c29-27(30)22-15-13-21-18-24(16-14-20(21)17-22)28(23-9-2-1-3-10-23)26-12-6-8-19-7-4-5-11-25(19)26/h1-18,29-30H
InChIKeyWASZITZMRSDGSB-UHFFFAOYSA-N
XLogP5.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.26
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic 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-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid
CID 144844311
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 86216082
[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
CID 171727559
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159764357
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine
CID 159759167

Frequently Asked Questions

What is the IUPAC name of [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid (CID 57456800) is [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid is OB(O)c1ccc2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2c1.
What is the InChIKey of [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid?
The InChIKey is WASZITZMRSDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BNO2/c29-27(30)22-15-13-21-18-24(16-14-20(21)17-22)28(23-9-2-1-3-10-23)26-12-6-8-19-7-4-5-11-25(19)26/h1-18,29-30H.
What are the key properties of [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid?
[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid has a molecular weight of 389.26 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 57456800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).