chempirical

Tetraphenylporphyrin

C44H30N4CAS 917-23-7614.75 g/mol

Open in Covalent MOL file
NNHNHN
Alkene

Properties

Molecular formula
C44H30N4
Molar mass
614.75 g/mol
Exact mass
614.2470 Da
Density
1.64 g/mL
Melting point
444 °C
logP
11.32Crippen estimate
Polar surface area
57.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
917-23-7
SMILES
C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1
InChIKey
YNHJECZULSZAQK-VQHGFYMWSA-N
InChI
InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H/b41-33-,41-34?,42-35-,42-37?,43-36-,43-38?,44-39-,44-40?

Weigh it out

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

Names and synonyms

18 names · show all
  • 21H,23H-Porphine, 5,10,15,20-tetraphenyl-
  • Porphine, 5,10,15,20-tetraphenyl-
  • Porphine, α,β,γ,δ-tetraphenyl-
  • 5,10,15,20-Tetraphenyl-21H,23H-porphine
  • α,β,γ,δ-Tetraphenylporphine
  • meso-Tetraphenylporphine
  • Tetraphenylporphine
  • meso-Tetraphenylporphyrin
  • 5,10,15,20-Tetraphenylporphine
  • 5,10,15,20-Tetraphenylporphyrin
  • TPP
  • TPP (chelating agent)
  • 5,10,15,20-Tetraphenyl-21H,23H-porphyrin
  • NSC 18506
  • NSC 640184
  • 5,10,15,20-Tetraphenyl-22H,24H-prophyrin
  • 5,10,15,20-Tetraphenyl-21H,23H-porphrin
  • A 5012

Work with Tetraphenylporphyrin

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

Tetra(4-pyridyl)porphyrin16834-13-270 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-166 % similar Tetrasodium meso-tetra(4-sulfonatophenyl)porphine39050-26-553 % similar Mthpc122341-38-252 % similar 2-Phenylbenzimidazole716-79-039 % similar 2,4,5-Triphenylimidazole484-47-938 % similar 9-Phenylacridine602-56-236 % similar 4,5-Diphenyl-2-imidazolethiol2349-58-835 % similar

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

Elsewhere

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