[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid

C30H24BNO — CID 145128679

IUPAC[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid
SMILESOBc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H24BNO/c33-31-26-17-21-28(22-18-26)32(27-19-15-24(16-20-27)23-9-3-1-4-10-23)30-14-8-7-13-29(30)25-11-5-2-6-12-25/h1-22,31,33H
InChIKeyULDUEFNNXYIIQP-UHFFFAOYSA-N
MW425.34 g/mol
LogP6.46
Rot. Bonds6

About [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid

[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid (PubChem CID 145128679) has the molecular formula C30H24BNO and a molecular weight of 425.34 g/mol. Its IUPAC name is [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid.

Molecular Properties

Compound Name[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid
PubChem CID145128679
Molecular FormulaC30H24BNO
Molecular Weight425.34 g/mol
Exact Mass425.20
IUPAC Name[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid
SMILESOBc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H24BNO/c33-31-26-17-21-28(22-18-26)32(27-19-15-24(16-20-27)23-9-3-1-4-10-23)30-14-8-7-13-29(30)25-11-5-2-6-12-25/h1-22,31,33H
InChIKeyULDUEFNNXYIIQP-UHFFFAOYSA-N
XLogP6.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
CID 174066282
CID 174066282
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid?
The IUPAC name of [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid (CID 145128679) is [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid.
What is the SMILES notation for [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid?
The canonical SMILES for [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid is OBc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid?
The InChIKey is ULDUEFNNXYIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BNO/c33-31-26-17-21-28(22-18-26)32(27-19-15-24(16-20-27)23-9-3-1-4-10-23)30-14-8-7-13-29(30)25-11-5-2-6-12-25/h1-22,31,33H.
What are the key properties of [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid?
[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid has a molecular weight of 425.34 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid is sourced from PubChem (CID 145128679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).