Basic information
- CAS
34814-80-7- Standard SMILES
c1ccc2c(c1)c1cccc3c4ccc5cc6c7cccc8cccc(c9ccc%10c%11ccc2c(c13)c%11c4c5c%10c96)c87- InChIKey
KSYHAESVGPXYEH-UHFFFAOYSA-N- Molecular formula
- C42H20
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.15650064
Names & identifiers
- Preferred name
- Dibenzo(fg,mn)phenanthro(2,1,10,9,8,7-vwxyza,b)heptaphene
- IUPAC
- dodecacyclo[31.7.1.12,6.03,32.04,29.05,10.09,14.011,28.012,25.013,18.019,24.037,41]dotetraconta-1(40),2(42),3(32),4(29),5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,30,33,35,37(41),38-henicosaene
Names & synonyms
34814-80-7Dibenzo(fg,mn)phenanthro(2,1,10,9,8,7-vwxyza,b)heptapheneDibenzo[fg,mn]phenanthro[2,1,10,9,8,7-vwxyza,b]heptapheneDTXSID40956294Tetrabenzo[b,def,lm,yz]pyranthrene
Database identifiers
- CAS
34814-80-7- PubChem CID
- 141925
- DTXSID
DTXSID40956294
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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