2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine

C27H26BN3O2CAS 1269508-31-7435.33 g/mol

Open in Covalent MOL file
BOONNN
Boronic ester

Properties

Molecular formula
C27H26BN3O2
Molar mass
435.33 g/mol
Exact mass
435.2118 Da
logP
5.17Crippen estimate
Polar surface area
57.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
1269508-31-7
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChIKey
FXHGBACNYDFALU-UHFFFAOYSA-N
InChI
InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20/h5-18H,1-4H3

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Names and synonyms

1 names
  • 2,4-Diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

Work with 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine

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

4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-374 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-862 % similar 4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-361 % similar Phenylboronic acid pinacol ester24388-23-659 % similar 1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole952514-86-258 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-258 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-457 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-6

Elsewhere

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