[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid

C26H19BO3 — CID 142728321

IUPAC[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid
SMILESOB(O)Oc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C26H19BO3/c28-27(29)30-20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26/h1-17,28-29H
InChIKeyAQVWUOKQZUHQGJ-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.68
Rot. Bonds4

About [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid

[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid (PubChem CID 142728321) has the molecular formula C26H19BO3 and a molecular weight of 390.25 g/mol. Its IUPAC name is [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid.

Molecular Properties

Compound Name[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid
PubChem CID142728321
Molecular FormulaC26H19BO3
Molecular Weight390.25 g/mol
Exact Mass390.14
IUPAC Name[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid
SMILESOB(O)Oc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C26H19BO3/c28-27(29)30-20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26/h1-17,28-29H
InChIKeyAQVWUOKQZUHQGJ-UHFFFAOYSA-N
XLogP5.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
[3-(fluoromethoxy)phenoxy]boronic acid
CID 142763366
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid?
The IUPAC name of [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid (CID 142728321) is [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid.
What is the SMILES notation for [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid?
The canonical SMILES for [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid is OB(O)Oc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid?
The InChIKey is AQVWUOKQZUHQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BO3/c28-27(29)30-20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26/h1-17,28-29H.
What are the key properties of [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid?
[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid has a molecular weight of 390.25 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(10-phenylanthracen-9-yl)phenoxy]boronic acid is sourced from PubChem (CID 142728321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).