5,10,15,20-Tetrakis(p-tolyl)porphyrin

C₄₈H₃₈N₄CAS 14527-51-6670.86 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₄₈H₃₈N₄
Molar mass: 670.86 g/mol
Exact mass: 670.3096 Da
logP: 12.56Crippen 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

14527-51-6

SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

InChIKey

SFQNUQLWBBZIOZ-UHFFFAOYSA-N

InChI

InChI=1S/C48H38N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28,49,52H,1-4H3

Weigh it out

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Names and synonyms

1 names

5,10,15,20-Tetra-P-tolyl-21H,23H-porphine

Work with 5,10,15,20-Tetrakis(p-tolyl)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

Tetraphenylporphyrin917-23-766 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-165 % similar Tetra(p-bromophenyl)porphyrin29162-73-065 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-865 % similar 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-364 % similar Tetra(4-pyridyl)porphyrin16834-13-264 % similar 5-(4-Aminophenyl)-10,15,20-triphenylporphyrin67605-64-558 % similar meso-Tetra(4-carboxyphenyl)porphine14609-54-255 % similar

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

Elsewhere

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