chempirical

Propidium iodide

C27H34I2N4CAS 25535-16-4668.41 g/mol

Open in Covalent MOL file
N+NHNNH2HII−
Primary amineQuaternary ammonium

Properties

Molecular formula
C27H34I2N4
Molar mass
668.41 g/mol
Exact mass
668.0873 Da
logP
2.97Crippen estimate
Polar surface area
54.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
7

Identifiers

CAS number
25535-16-4
SMILES
CC[N+](C)(CC)CCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1.I.[I-]
InChIKey
XJMOSONTPMZWPB-UHFFFAOYSA-M
InChI
InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Phenanthridinium, 3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenyl-, iodide (1:2)
  • Phenanthridinium, 3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenyl-, diiodide
  • 3,8-Diamino-5-(3-diethylaminopropyl)-6-phenylphenanthridinium iodide methiodide
  • Ammonium, [3-(3,8-diamino-6-phenyl-5-phenanthridinio)propyl]diethylmethyl-, diiodide
  • Propidium diiodide
  • 3,8-Diamino-5-(diethylmethylaminopropyl)-6-phenylphenanthridinium diiodide

Work with Propidium iodide

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 bromide1239-45-859 % similar 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide518-67-252 % similar

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

Elsewhere

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