3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide

C₂₀H₁₈BrN₃CAS 518-67-2380.29 g/mol

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Properties

Molecular formula: C₂₀H₁₈BrN₃
Molar mass: 380.29 g/mol
Exact mass: 379.0684 Da
Melting point: 240 °C (decomposes)
logP: 4.59Crippen estimate
Polar surface area: 54.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

518-67-2

SMILES

Br.Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1

InChIKey

MQOKYEROIFEEBH-UHFFFAOYSA-N

InChI

InChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H

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Names and synonyms

6 names

Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide
Dimidium bromide
Phenanthridinium compound 1553
Phenanthridium 1553
Trypadine

Work with 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide

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

Ethidium bromide1239-45-872 % similar Propidium iodide25535-16-452 % similar 3,4-Diphenylaniline10569-67-235 % similar 3,8-Diamino-6-phenylphenanthridine52009-64-032 % similar

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

Elsewhere

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