meso-Tetra(4-carboxyphenyl)porphine

C₄₈H₃₀N₄O₈CAS 14609-54-2790.79 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₄₈H₃₀N₄O₈
Molar mass: 790.79 g/mol
Exact mass: 790.2064 Da
logP: 10.12Crippen estimate
Polar surface area: 206.6 Å²
H-bond donors / acceptors: 6 / 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

14609-54-2

SMILES

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

InChIKey

HHDUMDVQUCBCEY-UHFFFAOYSA-N

InChI

InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)

Weigh it out

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Work with meso-Tetra(4-carboxyphenyl)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

Similar compounds

5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-859 % similar Tetraphenylporphyrin917-23-755 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-655 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-155 % similar Tetra(p-bromophenyl)porphyrin29162-73-055 % similar Tetra(4-pyridyl)porphyrin16834-13-254 % similar 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-351 % similar 5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)porphyrin145764-54-150 % similar

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

Elsewhere

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