Basic information
- CAS
189-43-5- Standard SMILES
c1ccc2cc3c(cc2c1)cc1ccc2cc4cc5ccccc5cc4c4ccc3c1c24- InChIKey
MZMIZQORNXCFHD-UHFFFAOYSA-N- Molecular formula
- C32H18
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.14085057
Names & identifiers
- Preferred name
- Benzo(xyz)heptaphene
- IUPAC
- octacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24,26,28(32),29-hexadecaene
Names & synonyms
BENZO(XYZ)HEPTAPHENEBenzo[xyz]heptaphene189-43-5DTXSID60172277Dinaphtho-(2',3',3,4)-(2',3',9,10)-pyren
Database identifiers
- CAS
189-43-5- PubChem CID
- 9104
- DTXSID
DTXSID60172277- Nikkaji
- J1.557.825D
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 649
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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