9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

C32H47B2NO4CAS 406726-92-9531.35 g/mol

Open in Covalent MOL file
BOONBOO
Boronic ester

Properties

Molecular formula
C32H47B2NO4
Molar mass
531.35 g/mol
Exact mass
531.3691 Da
logP
6.75Crippen estimate
Polar surface area
41.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
406726-92-9
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3CCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChIKey
XVVSDGVWSRLSDI-UHFFFAOYSA-N
InChI
InChI=1S/C32H47B2NO4/c1-10-11-12-13-14-15-20-35-27-21-23(33-36-29(2,3)30(4,5)37-33)16-18-25(27)26-19-17-24(22-28(26)35)34-38-31(6,7)32(8,9)39-34/h16-19,21-22H,10-15,20H2,1-9H3

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Names and synonyms

1 names
  • 9-n-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Work with 9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole958261-51-369 % similar (2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene)196207-58-654 % similar 2,7-Dibromo-9-hexylcarbazole654676-12-752 % similar 2-(9,9-Dioctyl-9H-fluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane302554-81-049 % similar 9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-349 % similar 4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane890042-13-447 % similar 9-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole1126522-69-743 % similar 9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole618442-57-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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