(1-naphthalen-2-ylanthracen-2-yl)boronic acid

C24H17BO2 — CID 160980106

IUPAC(1-naphthalen-2-ylanthracen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc3ccccc3cc2c1-c1ccc2ccccc2c1
InChIInChI=1S/C24H17BO2/c26-25(27)23-12-11-20-13-18-7-3-4-8-19(18)15-22(20)24(23)21-10-9-16-5-1-2-6-17(16)14-21/h1-15,26-27H
InChIKeySZKBKRXDSNUZPT-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.49
Rot. Bonds2

About (1-naphthalen-2-ylanthracen-2-yl)boronic acid

(1-naphthalen-2-ylanthracen-2-yl)boronic acid (PubChem CID 160980106) has the molecular formula C24H17BO2 and a molecular weight of 348.21 g/mol. Its IUPAC name is (1-naphthalen-2-ylanthracen-2-yl)boronic acid.

Molecular Properties

Compound Name(1-naphthalen-2-ylanthracen-2-yl)boronic acid
PubChem CID160980106
Molecular FormulaC24H17BO2
Molecular Weight348.21 g/mol
Exact Mass348.13
IUPAC Name(1-naphthalen-2-ylanthracen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc3ccccc3cc2c1-c1ccc2ccccc2c1
InChIInChI=1S/C24H17BO2/c26-25(27)23-12-11-20-13-18-7-3-4-8-19(18)15-22(20)24(23)21-10-9-16-5-1-2-6-17(16)14-21/h1-15,26-27H
InChIKeySZKBKRXDSNUZPT-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 54.49
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'}

Analyze (1-naphthalen-2-ylanthracen-2-yl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-pentaphen-3-ylnaphthalen-2-yl)pentaphene
CID 59805099
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
hexaphen-1-ylboronic acid
CID 175577698
(9,10-dinaphthalen-2-yl-6,7-didehydroanthracen-2-yl)boronic acid;ethane
CID 143809006
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-bromo-10-naphthalen-2-ylanthracene;9-(4-bromophenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-2-ylanthracene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid
CID 159162204
2,6-dibromonaphthalene;phenanthren-9-ylboronic acid;9-(6-phenanthren-9-ylnaphthalen-2-yl)phenanthrene
CID 158359204
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412578
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771

Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylanthracen-2-yl)boronic acid?
The IUPAC name of (1-naphthalen-2-ylanthracen-2-yl)boronic acid (CID 160980106) is (1-naphthalen-2-ylanthracen-2-yl)boronic acid.
What is the SMILES notation for (1-naphthalen-2-ylanthracen-2-yl)boronic acid?
The canonical SMILES for (1-naphthalen-2-ylanthracen-2-yl)boronic acid is OB(O)c1ccc2cc3ccccc3cc2c1-c1ccc2ccccc2c1.
What is the InChIKey of (1-naphthalen-2-ylanthracen-2-yl)boronic acid?
The InChIKey is SZKBKRXDSNUZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BO2/c26-25(27)23-12-11-20-13-18-7-3-4-8-19(18)15-22(20)24(23)21-10-9-16-5-1-2-6-17(16)14-21/h1-15,26-27H.
What are the key properties of (1-naphthalen-2-ylanthracen-2-yl)boronic acid?
(1-naphthalen-2-ylanthracen-2-yl)boronic acid has a molecular weight of 348.21 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylanthracen-2-yl)boronic acid is sourced from PubChem (CID 160980106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).