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C44H32N4O4CAS 122341-38-2680.76 g/mol

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HONHOHNOHNHHON
AlkenePhenol

Properties

Molecular formula
C44H32N4O4
Molar mass
680.76 g/mol
Exact mass
680.2424 Da
Melting point
above 250 °C
logP
9.76Crippen estimate
Polar surface area
138.3 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
4

Identifiers

CAS number
122341-38-2
SMILES
Oc1cccc(-c2c3ccc([nH]3)c(-c3cccc(O)c3)c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2C=C4)CC3)c1
InChIKey
LYPFDBRUNKHDGX-SOGSVHMOSA-N
InChI
InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34?,42-35?,42-37-,43-36?,43-38-,44-39-,44-40?

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Names and synonyms

15 names · show all
  • Phenol, 3,3′,3′′,3′′′-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
  • 3,3′,3′′,3′′′-(7,8-Dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[phenol]
  • 5,10,15,20-Tetra(m-hydroxyphenyl)chlorin
  • Temoporfin
  • 3,3′,3′′,3′′′-(7,8-Dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol
  • EF 9
  • 5,10,15,20-Tetrakis(m-hydroxyphenyl)chlorin
  • Foscan
  • 8-Dihydroporphyrin-5
  • Fosgel
  • Foslip
  • Fospeg
  • Foslipos
  • m-Tetrahydroxyphenylchlorin
  • SML 1707

Work with Mthpc

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

Tetraphenylporphyrin917-23-752 % similar Tetra(4-pyridyl)porphyrin16834-13-244 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-143 % similar Tetrasodium meso-tetra(4-sulfonatophenyl)porphine39050-26-536 % similar 3-Phenylphenol580-51-835 % similar 3-Hydroxybenzeneethanol13398-94-232 % similar Meta-tyramine588-05-631 % similar Resorcinol108-46-330 % similar

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

Elsewhere

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