[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid

C28H22BNO2 — CID 140786550

IUPAC[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid
SMILESOB(O)c1cccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12
InChIInChI=1S/C28H22BNO2/c31-29(32)28-13-7-8-23-20-22(16-19-27(23)28)21-14-17-26(18-15-21)30(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-20,31-32H
InChIKeyMRORMNUHFUZBCR-UHFFFAOYSA-N
MW415.30 g/mol
LogP5.66
Rot. Bonds5

About [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid

[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid (PubChem CID 140786550) has the molecular formula C28H22BNO2 and a molecular weight of 415.30 g/mol. Its IUPAC name is [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid
PubChem CID140786550
Molecular FormulaC28H22BNO2
Molecular Weight415.30 g/mol
Exact Mass415.17
IUPAC Name[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid
SMILESOB(O)c1cccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12
InChIInChI=1S/C28H22BNO2/c31-29(32)28-13-7-8-23-20-22(16-19-27(23)28)21-14-17-26(18-15-21)30(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-20,31-32H
InChIKeyMRORMNUHFUZBCR-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

[4-(4-phenyl-N-(3-phenylphenyl)anilino)naphthalen-1-yl]boronic acid
CID 171410390
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 170150009
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
7-[4-(N-naphthalen-1-ylanilino)phenyl]-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 59754893
N,N-diphenyl-4-[7-[4-(N-phenylanilino)phenyl]phenanthren-2-yl]aniline;N,4-diphenyl-N-[4-[7-[4-(N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline;N-naphthalen-1-yl-7-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-N-phenylphenanthren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenanthren-2-yl]phenyl]aniline
CID 162152216
[4-[3-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]boronic acid
CID 144844311
[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]boronic acid
CID 171410445
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844

Frequently Asked Questions

What is the IUPAC name of [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid?
The IUPAC name of [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid (CID 140786550) is [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid.
What is the SMILES notation for [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid?
The canonical SMILES for [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid is OB(O)c1cccc2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc12.
What is the InChIKey of [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid?
The InChIKey is MRORMNUHFUZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BNO2/c31-29(32)28-13-7-8-23-20-22(16-19-27(23)28)21-14-17-26(18-15-21)30(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-20,31-32H.
What are the key properties of [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid?
[6-[4-(N-phenylanilino)phenyl]naphthalen-1-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 [6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]boronic acid is sourced from PubChem (CID 140786550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).