Basic information
- CAS
93673-00-8- Standard SMILES
CC(C)(C)COc1ccc2c(c1)C1=NC2=NC2=NC(=NC3=NC(=NC4=NC(=N1)c1ccc(OCC(C)(C)C)cc14)c1ccc(OCC(C)(C)C)cc13)c1ccc(OCC(C)(C)C)cc12- InChIKey
OGIPKINBOLRCAB-UHFFFAOYSA-N- Molecular formula
- C52H56N8O4
- Average molar mass
- 857.1 g/mol
- Monoisotopic mass
- 856.4424523
Names & identifiers
- Preferred name
- 6,15,24,33-Tetrakis(2,2-dimethylpropoxy)-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(40),4(9),5,7,10,12(39),13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-icosaene
- IUPAC
- 6,15,24,33-tetrakis(2,2-dimethylpropoxy)-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(40),4(9),5,7,10,12(39),13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-icosaene
Names & synonyms
NSC37009093673-00-8DTXSID80331122NSC-3700902,9,16,23-Tetrakis(2,2-dimethylpropoxy)phthalocyanine
Database identifiers
- CAS
93673-00-8- PubChem CID
- 435447
- DTXSID
DTXSID80331122
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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