[4-(2-phenylphenyl)anthracen-9-yl]boronic acid

C26H19BO2 — CID 141173656

IUPAC[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
SMILESOB(O)c1c2ccccc2cc2c(-c3ccccc3-c3ccccc3)cccc12
InChIInChI=1S/C26H19BO2/c28-27(29)26-21-13-5-4-11-19(21)17-25-23(15-8-16-24(25)26)22-14-7-6-12-20(22)18-9-2-1-3-10-18/h1-17,28-29H
InChIKeyZGRVIXUJNNHAMZ-UHFFFAOYSA-N
MW374.25 g/mol
LogP5.01
Rot. Bonds3

About [4-(2-phenylphenyl)anthracen-9-yl]boronic acid

[4-(2-phenylphenyl)anthracen-9-yl]boronic acid (PubChem CID 141173656) has the molecular formula C26H19BO2 and a molecular weight of 374.25 g/mol. Its IUPAC name is [4-(2-phenylphenyl)anthracen-9-yl]boronic acid.

Molecular Properties

Compound Name[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
PubChem CID141173656
Molecular FormulaC26H19BO2
Molecular Weight374.25 g/mol
Exact Mass374.15
IUPAC Name[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
SMILESOB(O)c1c2ccccc2cc2c(-c3ccccc3-c3ccccc3)cccc12
InChIInChI=1S/C26H19BO2/c28-27(29)26-21-13-5-4-11-19(21)17-25-23(15-8-16-24(25)26)22-14-7-6-12-20(22)18-9-2-1-3-10-18/h1-17,28-29H
InChIKeyZGRVIXUJNNHAMZ-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.25
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(2-phenylphenyl)anthracene
CID 21435778
(4-phenanthren-1-yl-2,6-diphenylphenyl)boronic acid
CID 177108224
[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
CID 69442046
(2-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 142695143
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
5-phenylnaphthalene-2,3-diol
CID 21407140
hydron;1-phenylanthracene
CID 174351162
(4,5-diphenylanthracen-9-yl)-dimethylborane
CID 150402531
(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
CID 175463508
fluoroform;1-(2-phenylphenyl)naphthalene;sulfane
CID 162622934
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylphenyl)anthracen-9-yl]boronic acid?
The IUPAC name of [4-(2-phenylphenyl)anthracen-9-yl]boronic acid (CID 141173656) is [4-(2-phenylphenyl)anthracen-9-yl]boronic acid.
What is the SMILES notation for [4-(2-phenylphenyl)anthracen-9-yl]boronic acid?
The canonical SMILES for [4-(2-phenylphenyl)anthracen-9-yl]boronic acid is OB(O)c1c2ccccc2cc2c(-c3ccccc3-c3ccccc3)cccc12.
What is the InChIKey of [4-(2-phenylphenyl)anthracen-9-yl]boronic acid?
The InChIKey is ZGRVIXUJNNHAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BO2/c28-27(29)26-21-13-5-4-11-19(21)17-25-23(15-8-16-24(25)26)22-14-7-6-12-20(22)18-9-2-1-3-10-18/h1-17,28-29H.
What are the key properties of [4-(2-phenylphenyl)anthracen-9-yl]boronic acid?
[4-(2-phenylphenyl)anthracen-9-yl]boronic acid has a molecular weight of 374.25 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylphenyl)anthracen-9-yl]boronic acid is sourced from PubChem (CID 141173656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).