Back to Search
Molecule
B-(9,9-Diphenyl-9H-Fluoren-2-Yl)Boronic Acid
CAS: 400607-31-0 · C25H19BO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 400607-31-0
- Molecular Formula
- C25H19BO2
- Molecular Mass
- 362.24 g/mol
Identifiers
CAS Registry Number
400607-31-0
SMILES
OB(O)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChI Key
CPFALCJMNUHBHP-UHFFFAOYSA-N
InChI
InChI=1S/C25H19BO2/c27-26(28)20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27-28H
Names and Synonyms
- B-(9,9-Diphenyl-9H-Fluoren-2-Yl)Boronic Acid Synonym
- Boronic acid, B-(9,9-diphenyl-9H-fluoren-2-yl)- Synonym
- Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)- Synonym
- B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid Synonym
- (9,9-Diphenyl-9H-fluoren-2-yl)boronic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.24 g/mol | CAS Common Chemistry |
| 362.2370000000001 g/mol | RDKit | |
| 362.237 g/mol | RDKit | |
| 362.235 g/mol | chempirical lib | |
| Canonical SMILES | OB(O)C1=CC=C2C=3C=CC=CC3C(C=4C=CC=CC4)(C=5C=CC=CC5)C2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C25H19BO2/c27-26(28)20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27-28H | CAS Common Chemistry |
| InChI Key | InChIKey=CPFALCJMNUHBHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.7295000000000025 | RDKit |
| 3.7295 | RDKit | |
| 4.03 | chempirical lib | |
| Molar Refractivity | 113.5716 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.04 | RDKit |
| Exact Mass | 362.147810248 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 362.24 g/mol. Edit any field — others recompute live.
