(10-naphthalen-1-ylanthracen-9-yl)boronic acid

C24H17BO2 — CID 23088558

IUPAC(10-naphthalen-1-ylanthracen-9-yl)boronic acid
SMILESOB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C24H17BO2/c26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15,26-27H
InChIKeyASQXKNXJNDLXQV-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.49
Rot. Bonds2

About (10-naphthalen-1-ylanthracen-9-yl)boronic acid

(10-naphthalen-1-ylanthracen-9-yl)boronic acid (PubChem CID 23088558) has the molecular formula C24H17BO2 and a molecular weight of 348.21 g/mol. Its IUPAC name is (10-naphthalen-1-ylanthracen-9-yl)boronic acid.

Molecular Properties

Compound Name(10-naphthalen-1-ylanthracen-9-yl)boronic acid
PubChem CID23088558
Molecular FormulaC24H17BO2
Molecular Weight348.21 g/mol
Exact Mass348.13
IUPAC Name(10-naphthalen-1-ylanthracen-9-yl)boronic acid
SMILESOB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C24H17BO2/c26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15,26-27H
InChIKeyASQXKNXJNDLXQV-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'}

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Related Compounds

9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
(10-naphthalen-1-ylanthracen-1-yl)boronic acid
CID 154381135
(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
CID 175463508
(10-naphthalen-1-ylanthracen-9-yl)boronic acid;4,4,5,5-tetramethyl-2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 158492046
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
9-bromoanthracene;9-naphthalen-1-ylanthracene;naphthalen-1-ylboronic acid
CID 158003519
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787

Frequently Asked Questions

What is the IUPAC name of (10-naphthalen-1-ylanthracen-9-yl)boronic acid?
The IUPAC name of (10-naphthalen-1-ylanthracen-9-yl)boronic acid (CID 23088558) is (10-naphthalen-1-ylanthracen-9-yl)boronic acid.
What is the SMILES notation for (10-naphthalen-1-ylanthracen-9-yl)boronic acid?
The canonical SMILES for (10-naphthalen-1-ylanthracen-9-yl)boronic acid is OB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of (10-naphthalen-1-ylanthracen-9-yl)boronic acid?
The InChIKey is ASQXKNXJNDLXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BO2/c26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15,26-27H.
What are the key properties of (10-naphthalen-1-ylanthracen-9-yl)boronic acid?
(10-naphthalen-1-ylanthracen-9-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 (10-naphthalen-1-ylanthracen-9-yl)boronic acid is sourced from PubChem (CID 23088558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).