[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid

C28H22BNO2 — CID 172536059

IUPAC[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
SMILESOB(O)c1ccc2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2c1
InChIInChI=1S/C28H22BNO2/c31-29(32)25-15-11-23-14-18-28(20-24(23)19-25)30(26-9-5-2-6-10-26)27-16-12-22(13-17-27)21-7-3-1-4-8-21/h1-20,31-32H
InChIKeyQNQQTJBOGOGSMN-UHFFFAOYSA-N
MW415.30 g/mol
LogP5.66
Rot. Bonds5

About [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid

[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid (PubChem CID 172536059) has the molecular formula C28H22BNO2 and a molecular weight of 415.30 g/mol. Its IUPAC name is [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
PubChem CID172536059
Molecular FormulaC28H22BNO2
Molecular Weight415.30 g/mol
Exact Mass415.17
IUPAC Name[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
SMILESOB(O)c1ccc2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2c1
InChIInChI=1S/C28H22BNO2/c31-29(32)25-15-11-23-14-18-28(20-24(23)19-25)30(26-9-5-2-6-10-26)27-16-12-22(13-17-27)21-7-3-1-4-8-21/h1-20,31-32H
InChIKeyQNQQTJBOGOGSMN-UHFFFAOYSA-N
XLogP5.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.30
LogP ≤ 55.66
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

[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 86216082
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 171410445
[3-(N-naphthalen-2-ylanilino)phenyl]boronic acid
CID 171727559
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
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-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]boronic acid
CID 57456800
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

Frequently Asked Questions

What is the IUPAC name of [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid?
The IUPAC name of [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid (CID 172536059) is [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid?
The canonical SMILES for [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid is OB(O)c1ccc2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2c1.
What is the InChIKey of [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid?
The InChIKey is QNQQTJBOGOGSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BNO2/c31-29(32)25-15-11-23-14-18-28(20-24(23)19-25)30(26-9-5-2-6-10-26)27-16-12-22(13-17-27)21-7-3-1-4-8-21/h1-20,31-32H.
What are the key properties of [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid?
[7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid has a molecular weight of 415.30 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 172536059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).