B-(10-[1,1′-Biphenyl]-4-Yl-9-Anthracenyl)Boronic Acid

CAS: 400607-47-8 | C26H19BO2

Loading 3D structure...

CAS Registry Number: 400607-47-8

Molecular Formula: C26H19BO2

Molecular Mass: 374.25 g/mol

B-(10-[1,1′-Biphenyl]-4-Yl-9-Anthracenyl)Boronic Acid

Boronic acid, B-(10-[1,1′-biphenyl]-4-yl-9-anthracenyl)-

Boronic acid, (10-[1,1′-biphenyl]-4-yl-9-anthracenyl)-

B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid

(10-([1,1′-Biphenyl]-4-yl)anthracen-9-yl)boronic acid

OB(O)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12

InChI=1S/C26H19BO2/c28-27(29)26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17,28-29H

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	374.25 g/mol	CAS Common Chemistry
	374.24800000000005 g/mol	RDKit
	374.147810248 g/mol	RDKit
Canonical SMILES	OB(O)C=1C=2C=CC=CC2C(C=3C=CC(=CC3)C=4C=CC=CC4)=C5C=CC=CC51	CAS Common Chemistry
InChI	InChI=1S/C26H19BO2/c28-27(29)26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17,28-29H	CAS Common Chemistry
InChI Key	InChIKey=QIOZCMIWAVEQPN-UHFFFAOYSA-N	CAS Common Chemistry
Name	B-(10-[1,1′-Biphenyl]-4-yl-9-anthracenyl)boronic acid	CAS Common Chemistry
Heavy Atom Count	29	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	5	RDKit
Topological Polar Surface Area	40.46 Å²	RDKit
LogP	5.006800000000004	RDKit
Molar Refractivity	122.15159999999999	RDKit