chempirical

Titanyl phthalocyanine

C32H16N8OTiCAS 26201-32-1576.40 g/mol

Open in Covalent MOL file
OTi2+NNN−NNN−NN

Properties

Molecular formula
C32H16N8OTi
Molar mass
576.40 g/mol
Exact mass
576.0926 Da
logP
5.91Crippen estimate
Polar surface area
134.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Identifiers

CAS number
26201-32-1
SMILES
[O].[Ti+2].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc([n-]c4nc(n1)-c1ccccc1-4)-c1ccccc1-3)c1ccccc21
InChIKey
SJHHDDDGXWOYOE-UHFFFAOYSA-N
InChI
InChI=1S/C32H16N8.O.Ti/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;;+2

Weigh it out

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

Names and synonyms

16 names · show all
  • Titanium, oxo[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-5-12)-
  • Titanium, oxo[phthalocyaninato(2-)]-
  • Titanium, oxo[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-5-12)-
  • 29H,31H-Phthalocyanine, titanium complex
  • (SP-5-12)-Oxo[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]titanium
  • Oxytitanium phthalocyanine
  • Oxo(phthalocyaninato)titanium
  • T 22S
  • α-Titanyl phthalocyanine
  • ELA 7051
  • Fastogen blue 8310
  • Phthalocyanine titanyl complex
  • CG 01H
  • TPL 3
  • Iodide ionophore IV
  • CGM-A

Work with Titanyl phthalocyanine

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

Zinc phthalocyanine14320-04-877 % similar Iron(II) phthalocyanine132-16-175 % similar BM 64147-14-875 % similar Cobalt phthalocyanine3317-67-775 % similar Aluminum phthalocyanine chloride14154-42-869 % similar C.I. Direct blue 861330-38-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook