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

C₂₇H₂₆BN₃O₂CAS 1219956-23-6435.33 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

1219956-23-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChIKey

PVGOPEUJUVXCGN-UHFFFAOYSA-N

InChI

InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20/h5-18H,1-4H3

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Names and synonyms

1 names

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

Work with 2,4-Diphenyl-6-(4-(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

2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-763 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-557 % similar 4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-350 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-250 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-749 % similar 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-848 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-647 % similar 4-Formylphenylboronic acid pinacol ester128376-64-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-7

Elsewhere

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