Tetra(p-bromophenyl)porphyrin

C₄₄H₂₆Br₄N₄CAS 29162-73-0930.34 g/mol

Open in Covalent MOL file

Alkene Aryl halide

Properties

Molecular formula: C₄₄H₂₆Br₄N₄
Molar mass: 930.34 g/mol
Exact mass: 925.8891 Da
logP: 14.37Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

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

29162-73-0

SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Br)C8=CC=C(C=C8)Br)C=C4)C9=CC=C(C=C9)Br)N3)Br

InChIKey

ANWXWWSYNQLVED-UHFFFAOYSA-N

InChI

InChI=1S/C44H26Br4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H

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Names and synonyms

1 names

meso-Tetra (P-bromophenyl) porphine

Work with Tetra(p-bromophenyl)porphyrin

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

5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-870 % similar Tetraphenylporphyrin917-23-766 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-665 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-165 % similar Tetra(4-pyridyl)porphyrin16834-13-264 % similar 5,15-Dibromo-10,20-diphenylporphine151256-86-961 % similar 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-359 % similar 5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)porphyrin145764-54-158 % similar

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

Elsewhere

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