chempirical

Tetra(4-pyridyl)porphyrin

C40H26N8CAS 16834-13-2618.70 g/mol

Open in Covalent MOL file
NNNHNNNHNN
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 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Identifiers

CAS number
16834-13-2
SMILES
C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1
InChIKey
DNZSHSJERXNJGX-BCWCAWDXSA-N
InChI
InChI=1S/C40H26N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-24,45,48H/b37-29-,37-31?,38-30-,38-32?,39-33-,39-35?,40-34-,40-36?

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all
  • 21H,23H-Porphine, 5,10,15,20-tetra-4-pyridinyl-
  • Porphine, 5,10,15,20-tetra-4-pyridyl-
  • Porphine, α,β,γ,δ-tetra-4-pyridyl-
  • 5,10,15,20-Tetra-4-pyridinyl-21H,23H-porphine
  • α,β,γ,δ-Tetra-4-pyridylporphine
  • Tetrakis(4-pyridyl)porphine
  • 5,10,15,20-Tetra(4-pyridyl)porphine
  • Tetrakis(4-pyridyl)porphyrin
  • meso-Tetra(4-pyridyl)porphyrin
  • 5,10,15,20-Tetra(4-pyridyl)porphyrin
  • Mesotetra(4-pyridyl)porphyrin
  • meso-Tetrakis(4-pyridyl)porphine
  • 5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphine
  • meso-Tetrakis(4-pyridyl)porphyrin
  • 5,10,15,20-Tetrakis(4′-N-pyridyl)porphyrin
  • 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphine
  • meso-Tetra(4-pyridyl)porphine
  • 5,10,15,20-Tetrakis(4-pyridyl)porphyrin
  • 5,10,15,20-Tetrakis(4-pyridinyl)-21H,23H-porphine
  • Tetra(4-pyridyl)porphine
  • α,β,γ,δ-Tetrakis(4-pyridyl)porphine
  • 5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphyrin
  • meso-Tetrakis(pyridin-4-yl)porphine
  • 5,10,15,20-Tetra(4-pyridyl)-21H,23H-porphyrin

Work with Tetra(4-pyridyl)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

Tetraphenylporphyrin917-23-770 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-164 % similar Tetrasodium meso-tetra(4-sulfonatophenyl)porphine39050-26-551 % similar Mthpc122341-38-244 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-639 % similar 4,4'-Bipyridine553-26-437 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-736 % similar trans-1,2-Bis(4-pyridyl)ethylene13362-78-233 % similar

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

Elsewhere

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