2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine

C₂₇H₁₈BrN₃CAS 1606981-69-4464.37 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₂₇H₁₈BrN₃
Molar mass: 464.37 g/mol
Exact mass: 463.0684 Da
logP: 7.30Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1606981-69-4

SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChIKey

PLXPMZVMTNSXBA-UHFFFAOYSA-N

InChI

InChI=1S/C27H18BrN3/c28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20/h1-18H

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Names and synonyms

1 names

2-(3'-Bromo-biphenyl-3-yl)-4,6-diphenyl-[1,3,5]triazine

Work with 2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-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-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-192 % similar 4-(3-Bromophenyl)-2,6-diphenylpyrimidine864377-28-671 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-569 % similar 3-Bromobiphenyl2113-57-767 % similar 3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-265 % similar 1-Bromo-3-(4-phenylphenyl)benzene1762-87-464 % similar 1,3,5-Tris(3-bromophenyl)benzene96761-85-263 % similar 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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