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

C34H26BNO2 — CID 171410390

IUPAC[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid
SMILESOB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C34H26BNO2/c37-35(38)33-22-23-34(32-17-8-7-16-31(32)33)36(29-20-18-27(19-21-29)25-10-3-1-4-11-25)30-15-9-14-28(24-30)26-12-5-2-6-13-26/h1-24,37-38H
InChIKeyNHBLCBCMXQTUQK-UHFFFAOYSA-N
MW491.40 g/mol
LogP7.32
Rot. Bonds6

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

[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid (PubChem CID 171410390) has the molecular formula C34H26BNO2 and a molecular weight of 491.40 g/mol. Its IUPAC name is [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid
PubChem CID171410390
Molecular FormulaC34H26BNO2
Molecular Weight491.40 g/mol
Exact Mass491.21
IUPAC Name[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid
SMILESOB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C34H26BNO2/c37-35(38)33-22-23-34(32-17-8-7-16-31(32)33)36(29-20-18-27(19-21-29)25-10-3-1-4-11-25)30-15-9-14-28(24-30)26-12-5-2-6-13-26/h1-24,37-38H
InChIKeyNHBLCBCMXQTUQK-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

[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid
CID 144844311
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 171410445
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
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
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid
CID 140786550
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid?
The IUPAC name of [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid (CID 171410390) is [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid?
The canonical SMILES for [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid is OB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccccc3)c2)c2ccccc12.
What is the InChIKey of [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid?
The InChIKey is NHBLCBCMXQTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26BNO2/c37-35(38)33-22-23-34(32-17-8-7-16-31(32)33)36(29-20-18-27(19-21-29)25-10-3-1-4-11-25)30-15-9-14-28(24-30)26-12-5-2-6-13-26/h1-24,37-38H.
What are the key properties of [4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid?
[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]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-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 171410390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).