Basic information
- CAS
313-62-2- Standard SMILES
c1ccc2c(c1)c1ccc3c4ccccc4c4ccc5c6ccccc6c6ccc2c2c1c3c4c5c62- InChIKey
IUVKKZUCDGHBBS-UHFFFAOYSA-N- Molecular formula
- C36H18
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.14085057
Names & identifiers
- Preferred name
- Tribenzo(a,d,g)coronene
- IUPAC
- decacyclo[26.6.2.02,7.08,33.011,32.012,17.018,31.021,30.022,27.029,34]hexatriaconta-1(34),2,4,6,8(33),9,11(32),12,14,16,18(31),19,21(30),22,24,26,28,35-octadecaene
Names & synonyms
Tribenzo(a,d,g)coronene313-62-2Tribenzo[a,d,g]coronenetribenzo(a,g,m)coroneneSCHEMBL5474001DTXSID90953339Tribenzo[fgh,pqr,za_1_b_1_]trinaphthylene
Database identifiers
- CAS
313-62-2- PubChem CID
- 136154
- DTXSID
DTXSID90953339- Nikkaji
- J3.316.727J
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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