Basic information
- CAS
72382-91-3- Standard SMILES
c1ccc2c(c1)c1ccccc1c1c2cc2ccc3cc4c5ccccc5c5ccccc5c4c4c5ccccc5c1c2c34- InChIKey
RZHMLUBYECBBRT-UHFFFAOYSA-N- Molecular formula
- C44H24
- Average molar mass
- 552.7 g/mol
- Monoisotopic mass
- 552.18780077
Names & identifiers
- Preferred name
- Tetrabenzo(a,c,m,o)naphtho(1,2,3,4-rst)pentaphene
- IUPAC
- undecacyclo[22.18.2.02,7.08,44.09,22.010,15.016,21.027,43.029,42.030,35.036,41]tetratetraconta-1(43),2,4,6,8(44),9(22),10,12,14,16,18,20,23,25,27,29(42),30,32,34,36,38,40-docosaene
Names & synonyms
Tetrabenzo(a,c,m,o)naphtho(1,2,3,4-rst)pentaphene72382-91-3Tetrabenzo[a,c,m,o]naphtho[1,2,3,4-rst]pentapheneHexabenzo[a,e,g,klm,q,s]piceneDTXSID40222688
Database identifiers
- CAS
72382-91-3- PubChem CID
- 51571
- DTXSID
DTXSID40222688- Nikkaji
- J1.590.306F
Properties
Computed structural properties
- XLogP
- 12.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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