chempirical

5,15-Dibromo-10,20-diphenylporphine

C32H20Br2N4CAS 151256-86-9620.35 g/mol

Open in Covalent MOL file
NHNNBrBrNH
AlkeneAryl halide

Properties

Molecular formula
C32H20Br2N4
Molar mass
620.35 g/mol
Exact mass
618.0055 Da
logP
9.51Crippen estimate
Polar surface area
57.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
151256-86-9
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)Br)N3
InChIKey
XBGDWJTUQWOPHM-UHFFFAOYSA-N
InChI
InChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H

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Work with 5,15-Dibromo-10,20-diphenylporphine

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

Tetraphenylporphyrin917-23-776 % similar 5-(4-Aminophenyl)-10,15,20-triphenylporphyrin67605-64-563 % similar Tetra(p-bromophenyl)porphyrin29162-73-061 % similar Tetra(4-pyridyl)porphyrin16834-13-255 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-653 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-153 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-853 % similar 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-349 % similar

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

Elsewhere

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