chempirical

5-(4-Aminophenyl)-10,15,20-triphenylporphyrin

C44H31N5CAS 67605-64-5629.77 g/mol

Open in Covalent MOL file
NNHNNH2NH
AlkenePrimary amine

Properties

Molecular formula
C44H31N5
Molar mass
629.77 g/mol
Exact mass
629.2579 Da
logP
10.91Crippen estimate
Polar surface area
83.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

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
67605-64-5
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)N)C=C4)C9=CC=CC=C9)N3
InChIKey
NSCOPASYOISSAC-UHFFFAOYSA-N
InChI
InChI=1S/C44H31N5/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H,45H2

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Names and synonyms

1 names
  • 4-(10,15,20-Triphenyl-21H,23H-porphin-5-yl)benzenamine

Work with 5-(4-Aminophenyl)-10,15,20-triphenylporphyrin

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

5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-188 % similar Tetraphenylporphyrin917-23-778 % similar 5,15-Dibromo-10,20-diphenylporphine151256-86-963 % similar 5,10,15,20-Tetrakis(p-tolyl)porphyrin14527-51-658 % similar Tetra(p-bromophenyl)porphyrin29162-73-058 % similar 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine51094-17-858 % similar Tetra(4-pyridyl)porphyrin16834-13-257 % similar 5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine22112-78-354 % similar

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

Elsewhere

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