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

C24H17BO2 — CID 154381135

IUPAC(10-naphthalen-1-ylanthracen-1-yl)boronic acid
SMILESOB(O)c1cccc2c(-c3cccc4ccccc34)c3ccccc3cc12
InChIInChI=1S/C24H17BO2/c26-25(27)23-14-6-13-21-22(23)15-17-8-2-4-11-19(17)24(21)20-12-5-9-16-7-1-3-10-18(16)20/h1-15,26-27H
InChIKeyFVSBYEWVHBFZRG-UHFFFAOYSA-N
MW348.21 g/mol
LogP4.49
Rot. Bonds2

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

(10-naphthalen-1-ylanthracen-1-yl)boronic acid (PubChem CID 154381135) has the molecular formula C24H17BO2 and a molecular weight of 348.21 g/mol. Its IUPAC name is (10-naphthalen-1-ylanthracen-1-yl)boronic acid.

Molecular Properties

Compound Name(10-naphthalen-1-ylanthracen-1-yl)boronic acid
PubChem CID154381135
Molecular FormulaC24H17BO2
Molecular Weight348.21 g/mol
Exact Mass348.13
IUPAC Name(10-naphthalen-1-ylanthracen-1-yl)boronic acid
SMILESOB(O)c1cccc2c(-c3cccc4ccccc34)c3ccccc3cc12
InChIInChI=1S/C24H17BO2/c26-25(27)23-14-6-13-21-22(23)15-17-8-2-4-11-19(17)24(21)20-12-5-9-16-7-1-3-10-18(16)20/h1-15,26-27H
InChIKeyFVSBYEWVHBFZRG-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-bromoanthracene;9-naphthalen-1-ylanthracene;naphthalen-1-ylboronic acid
CID 158003519
1,10-dinaphthalen-1-ylanthracene
CID 58645117
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
(3-fluoro-2-naphthalen-1-ylphenyl)boronic acid
CID 141134656
9,10-di(anthracen-1-yl)anthracene
CID 58645093
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412654
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
naphthalen-1-ylboronic acid;phenylboronic acid
CID 68865440

Frequently Asked Questions

What is the IUPAC name of (10-naphthalen-1-ylanthracen-1-yl)boronic acid?
The IUPAC name of (10-naphthalen-1-ylanthracen-1-yl)boronic acid (CID 154381135) is (10-naphthalen-1-ylanthracen-1-yl)boronic acid.
What is the SMILES notation for (10-naphthalen-1-ylanthracen-1-yl)boronic acid?
The canonical SMILES for (10-naphthalen-1-ylanthracen-1-yl)boronic acid is OB(O)c1cccc2c(-c3cccc4ccccc34)c3ccccc3cc12.
What is the InChIKey of (10-naphthalen-1-ylanthracen-1-yl)boronic acid?
The InChIKey is FVSBYEWVHBFZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BO2/c26-25(27)23-14-6-13-21-22(23)15-17-8-2-4-11-19(17)24(21)20-12-5-9-16-7-1-3-10-18(16)20/h1-15,26-27H.
What are the key properties of (10-naphthalen-1-ylanthracen-1-yl)boronic acid?
(10-naphthalen-1-ylanthracen-1-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-1-yl)boronic acid is sourced from PubChem (CID 154381135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).