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

C₄₄H₃₀N₄O₄CAS 51094-17-8678.75 g/mol

Open in Covalent MOL file

Alkene Phenol

Properties

Molecular formula: C₄₄H₃₀N₄O₄
Molar mass: 678.75 g/mol
Exact mass: 678.2267 Da
logP: 10.15Crippen estimate
Polar surface area: 138.3 Å²
H-bond donors / acceptors: 6 / 6
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

51094-17-8

SMILES

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

InChIKey

VFHDWGAEEDVVPD-UHFFFAOYSA-N

InChI

InChI=1S/C44H30N4O4/c49-29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(50)12-4-26)37-21-23-39(47-37)44(28-7-15-32(52)16-8-28)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(51)14-6-27/h1-24,45,48-52H

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Names and synonyms

1 names

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

Work with 5,10,15,20-Tetrakis(4-hydroxyphenyl)-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

Similar compounds

5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)porphyrin145764-54-173 % similar Tetra(p-bromophenyl)porphyrin29162-73-070 % 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 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-359 % similar meso-Tetra(4-carboxyphenyl)porphine14609-54-259 % similar

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

Elsewhere

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