[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid

C26H20BNO2 — CID 68817582

IUPAC[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H20BNO2/c29-27(30)21-15-17-22(18-16-21)28-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)26(28)20-11-5-2-6-12-20/h1-18,29-30H
InChIKeyCPPKMAGPVXWMNT-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.64
Rot. Bonds4

About [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid

[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid (PubChem CID 68817582) has the molecular formula C26H20BNO2 and a molecular weight of 389.26 g/mol. Its IUPAC name is [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
PubChem CID68817582
Molecular FormulaC26H20BNO2
Molecular Weight389.26 g/mol
Exact Mass389.16
IUPAC Name[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
SMILESOB(O)c1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H20BNO2/c29-27(30)21-15-17-22(18-16-21)28-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)26(28)20-11-5-2-6-12-20/h1-18,29-30H
InChIKeyCPPKMAGPVXWMNT-UHFFFAOYSA-N
XLogP4.64
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid?
The IUPAC name of [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid (CID 68817582) is [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid.
What is the SMILES notation for [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid?
The canonical SMILES for [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid is OB(O)c1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid?
The InChIKey is CPPKMAGPVXWMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BNO2/c29-27(30)21-15-17-22(18-16-21)28-24-14-8-7-13-23(24)25(19-9-3-1-4-10-19)26(28)20-11-5-2-6-12-20/h1-18,29-30H.
What are the key properties of [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid?
[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid has a molecular weight of 389.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-diphenylindol-1-yl)phenyl]boronic acid is sourced from PubChem (CID 68817582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).