5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin

C₄₄H₁₀F₂₀N₄CAS 25440-14-6974.56 g/mol

Open in Covalent MOL file

Alkene Aryl halide

Properties

Molecular formula: C₄₄H₁₀F₂₀N₄
Molar mass: 974.56 g/mol
Exact mass: 974.0586 Da
logP: 14.11Crippen estimate
Polar surface area: 57.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25440-14-6

SMILES

C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C=C3)C9=C(C(=C(C(=C9F)F)F)F)F

InChIKey

VJEVAXUMNMFKDT-UHFFFAOYSA-N

InChI

InChI=1S/C44H10F20N4/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50/h1-8,65,68H

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Names and synonyms

1 names

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

Work with 5,10,15,20-Tetrakis(pentafluorophenyl)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

Tetraphenylporphyrin917-23-755 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-854 % similar Tetra(4-pyridyl)porphyrin16834-13-253 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-650 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-150 % similar Tetra(p-bromophenyl)porphyrin29162-73-050 % similar 5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)porphyrin145764-54-149 % similar meso-Tetra (2-pyridyl) porphine40904-90-349 % similar

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

Elsewhere

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