meso-Tetra (2-pyridyl) porphine

C₄₀H₂₆N₈CAS 40904-90-3618.70 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₄₀H₂₆N₈
Molar mass: 618.70 g/mol
Exact mass: 618.2280 Da
logP: 8.90Crippen estimate
Polar surface area: 108.9 Å²
H-bond donors / acceptors: 2 / 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

40904-90-3

SMILES

C1=CC=NC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=N7)C8=CC=CC=N8)C=C4)C9=CC=CC=N9)N3

InChIKey

SBTXZBOBSRZUPE-UHFFFAOYSA-N

InChI

InChI=1S/C40H26N8/c1-5-21-41-25(9-1)37-29-13-15-31(45-29)38(26-10-2-6-22-42-26)33-17-19-35(47-33)40(28-12-4-8-24-44-28)36-20-18-34(48-36)39(27-11-3-7-23-43-27)32-16-14-30(37)46-32/h1-24,45,48H

Weigh it out

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Names and synonyms

1 names

5,10,15,20-Tetrakis(2-pyridyl)porphyrin

Work with meso-Tetra (2-pyridyl) 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

Tetraphenylporphyrin917-23-759 % similar 5-(4-Aminophenyl)-10,15,20-triphenylporphyrin67605-64-549 % similar 5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin25440-14-649 % similar 5,15-Dibromo-10,20-diphenylporphine151256-86-948 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-646 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-146 % similar Tetra(p-bromophenyl)porphyrin29162-73-046 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-846 % similar

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

Same formula

Tetra(4-pyridyl)porphyrin16834-13-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook