5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine

C₄₈H₃₈N₄O₄CAS 22112-78-3734.86 g/mol

Open in Covalent MOL file

Alkene Ether

Properties

Molecular formula: C₄₈H₃₈N₄O₄
Molar mass: 734.86 g/mol
Exact mass: 734.2893 Da
logP: 11.36Crippen estimate
Polar surface area: 94.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 8

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

22112-78-3

SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)N3

InChIKey

PJOJZHHAECOAFH-UHFFFAOYSA-N

InChI

InChI=1S/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3

Weigh it out

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Names and synonyms

1 names

5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin

Work with 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cobalt tetramethoxyphenylporphyrin28903-71-1Salt

Similar compounds

5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-664 % similar Tetraphenylporphyrin917-23-760 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-159 % similar Tetra(p-bromophenyl)porphyrin29162-73-059 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-859 % similar Tetra(4-pyridyl)porphyrin16834-13-258 % similar 5-(4-Aminophenyl)-10,15,20-triphenylporphyrin67605-64-554 % similar meso-Tetra(4-carboxyphenyl)porphine14609-54-251 % similar

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

Elsewhere

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