Basic information
- CAS
80410-32-8- Standard SMILES
c1ccc2c3c(ccc2c1)Oc1ccc2ccccc2c1C3CCC1c2c(ccc3ccccc23)Oc2ccc3ccccc3c21- InChIKey
DNCJLWYPIHXQEI-UHFFFAOYSA-N- Molecular formula
- C44H30O2
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.2245802
Names & identifiers
- Preferred name
- 2-[2-(13-Oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)ethyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
- IUPAC
- 2-[2-(13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaen-2-yl)ethyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
Names & synonyms
NSC37177580410-32-8DTXSID70321193NSC-37177514,14'-(Ethane-1,2-diyl)di(14H-dibenzo[a,j]xanthene)
Database identifiers
- CAS
80410-32-8- PubChem CID
- 340718
- DTXSID
DTXSID70321193- Nikkaji
- J1.165.469J
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 897
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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