Basic information
- CAS
435-02-9- Standard SMILES
c1ccc2cc3c(cc2c1)cc1c2c3ccc3cccc(c32)c2c3cccc4ccc5cccc(c5c43)c12- InChIKey
JTGNWKRAXNGJKB-UHFFFAOYSA-N- Molecular formula
- C38H20
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.15650064
Names & identifiers
- Preferred name
- Tribenzo(de,ij,q)naphtho(2,1,8-uva)pentaphene
- IUPAC
- decacyclo[18.14.2.27,10.02,15.03,8.09,14.016,36.023,35.024,33.026,31]octatriaconta-1(34),2(15),3,5,7,9,11,13,16,18,20(36),21,23(35),24,26,28,30,32,37-nonadecaene
Names & synonyms
Tribenzo(de,ij,q)naphtho(2,1,8-uva)pentaphene435-02-9Dibenzo[de,yz]naphtho[8,1,2-hij]hexapheneTribenzo[de,ij,q]naphtho[2,1,8-uva]pentapheneDTXSID80195862
Database identifiers
- CAS
435-02-9- PubChem CID
- 9907
- DTXSID
DTXSID80195862- Nikkaji
- J1.558.751B
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 919
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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