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

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Properties

Molecular formula: C₂₇H₂₆BN₃O₂
Molar mass: 435.33 g/mol
Exact mass: 435.2118 Da
logP: 5.17Crippen estimate
Polar surface area: 57.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

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-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-361 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-755 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-653 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-052 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-551 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-350 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-348 % similar 9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-346 % 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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