Basic information
- Standard SMILES
[Ti].c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21- InChIKey
FQHJEHWNNCNQFO-UHFFFAOYSA-N- Molecular formula
- C32H18N8Ti
- Average molar mass
- 562.4 g/mol
Names & identifiers
- Preferred name
- Titanium phthalocyanine
- IUPAC
- 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;titanium
Names & synonyms
titanium phthalocyanineFQHJEHWNNCNQFO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136406513
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 777
Related reactions
4 records
Compound notes
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