[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid

C34H26BNO2 — CID 144844311

IUPAC[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C34H26BNO2/c37-35(38)30-20-16-27(17-21-30)29-12-6-13-32(24-29)36(34-15-7-11-28-10-4-5-14-33(28)34)31-22-18-26(19-23-31)25-8-2-1-3-9-25/h1-24,37-38H
InChIKeyHDCCGCZKHZIYCQ-UHFFFAOYSA-N
MW491.40 g/mol
LogP7.32
Rot. Bonds6

About [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid

[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid (PubChem CID 144844311) has the molecular formula C34H26BNO2 and a molecular weight of 491.40 g/mol. Its IUPAC name is [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid
PubChem CID144844311
Molecular FormulaC34H26BNO2
Molecular Weight491.40 g/mol
Exact Mass491.21
IUPAC Name[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C34H26BNO2/c37-35(38)30-20-16-27(17-21-30)29-12-6-13-32(24-29)36(34-15-7-11-28-10-4-5-14-33(28)34)31-22-18-26(19-23-31)25-8-2-1-3-9-25/h1-24,37-38H
InChIKeyHDCCGCZKHZIYCQ-UHFFFAOYSA-N
XLogP7.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.40
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 171410445
[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid
CID 57456800
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid?
The IUPAC name of [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid (CID 144844311) is [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid.
What is the SMILES notation for [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid?
The canonical SMILES for [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid is OB(O)c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid?
The InChIKey is HDCCGCZKHZIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26BNO2/c37-35(38)30-20-16-27(17-21-30)29-12-6-13-32(24-29)36(34-15-7-11-28-10-4-5-14-33(28)34)31-22-18-26(19-23-31)25-8-2-1-3-9-25/h1-24,37-38H.
What are the key properties of [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid?
[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid has a molecular weight of 491.40 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid is sourced from PubChem (CID 144844311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).