[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid

C22H18BNO2 — CID 171727559

IUPAC[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
SMILESOB(O)c1cccc(N(c2ccccc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H18BNO2/c25-23(26)19-9-6-12-21(16-19)24(20-10-2-1-3-11-20)22-14-13-17-7-4-5-8-18(17)15-22/h1-16,25-26H
InChIKeyOBLDBTZVYLSRTI-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.99
Rot. Bonds4

About [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid

[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid (PubChem CID 171727559) has the molecular formula C22H18BNO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
PubChem CID171727559
Molecular FormulaC22H18BNO2
Molecular Weight339.20 g/mol
Exact Mass339.14
IUPAC Name[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
SMILESOB(O)c1cccc(N(c2ccccc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H18BNO2/c25-23(26)19-9-6-12-21(16-19)24(20-10-2-1-3-11-20)22-14-13-17-7-4-5-8-18(17)15-22/h1-16,25-26H
InChIKeyOBLDBTZVYLSRTI-UHFFFAOYSA-N
XLogP3.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(N-naphthalen-2-ylanilino)phenyl]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

[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 86216082
[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 172536059
[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid
CID 57456800
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]boronic acid
CID 142746536
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
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634

Frequently Asked Questions

What is the IUPAC name of [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid?
The IUPAC name of [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid (CID 171727559) is [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid.
What is the SMILES notation for [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid?
The canonical SMILES for [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid is OB(O)c1cccc(N(c2ccccc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid?
The InChIKey is OBLDBTZVYLSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BNO2/c25-23(26)19-9-6-12-21(16-19)24(20-10-2-1-3-11-20)22-14-13-17-7-4-5-8-18(17)15-22/h1-16,25-26H.
What are the key properties of [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid?
[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid has a molecular weight of 339.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(N-naphthalen-2-ylanilino)phenyl]boronic acid is sourced from PubChem (CID 171727559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).