Cobalt tetramethoxyphenylporphyrin

C₄₈H₃₆CoN₄O₄CAS 28903-71-1791.77 g/mol

Open in Covalent MOL file

Alkene Ether

Properties

Molecular formula: C₄₈H₃₆CoN₄O₄
Molar mass: 791.77 g/mol
Exact mass: 791.2068 Da
logP: 10.61Crippen estimate
Polar surface area: 90.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 8

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

28903-71-1

SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Co+2]

InChIKey

QBCIMRXPMLWVML-UHFFFAOYSA-N

InChI

InChI=1S/C48H36N4O4.Co/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;+2

Weigh it out

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

Work with Cobalt tetramethoxyphenylporphyrin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-3Parent compound

Similar compounds

4,4'-Dimethoxybiphenyl2132-80-140 % similar 4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde52988-34-838 % similar Photoanethole15638-14-937 % similar 4-Methoxybiphenyl613-37-636 % similar 1,4-Dimethoxybenzene150-78-735 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-635 % similar Anethole104-46-134 % similar 4-Anisaldehyde123-11-534 % similar

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

Elsewhere

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