5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)porphyrin

C₄₄H₃₀N₄O₈CAS 145764-54-1742.74 g/mol

Open in Covalent MOL file

Alkene Phenol

Properties

Molecular formula: C₄₄H₃₀N₄O₈
Molar mass: 742.74 g/mol
Exact mass: 742.2064 Da
logP: 8.97Crippen estimate
Polar surface area: 219.2 Å²
H-bond donors / acceptors: 10 / 10
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

145764-54-1

SMILES

C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC(=CC(=C6)O)O)C7=CC(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)C=C3)C9=CC(=CC(=C9)O)O

InChIKey

KNNIRTCDHGJGJA-UHFFFAOYSA-N

InChI

InChI=1S/C44H30N4O8/c49-25-9-21(10-26(50)17-25)41-33-1-2-34(45-33)42(22-11-27(51)18-28(52)12-22)36-5-6-38(47-36)44(24-15-31(55)20-32(56)16-24)40-8-7-39(48-40)43(37-4-3-35(41)46-37)23-13-29(53)19-30(54)14-23/h1-20,45,48-56H

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Names and synonyms

1 names

5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)-21H,23H-porphine

Work with 5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)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-porphine51094-17-873 % similar mTHPC122341-38-262 % similar Tetraphenylporphyrin917-23-759 % similar Tetra(p-bromophenyl)porphyrin29162-73-058 % similar Tetra(4-pyridyl)porphyrin16834-13-257 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-654 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-154 % similar meso-Tetra(4-carboxyphenyl)porphine14609-54-250 % similar

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

Elsewhere

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