Basic information
- CAS
31541-10-3- Standard SMILES
c1ccc2cc3c(cc2c1)c1c2ccccc2cc2c4ccccc4c4cc5ccccc5c3c4c21- InChIKey
FPGVNXHJDAMCCI-UHFFFAOYSA-N- Molecular formula
- C36H20
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.15650064
Names & identifiers
- Preferred name
- Dinaphtho(3,2,1-FG:1',2',3'-ST)pentacene
- IUPAC
- nonacyclo[18.14.2.02,11.04,9.012,36.013,18.021,26.027,35.029,34]hexatriaconta-1(35),2,4,6,8,10,12(36),13,15,17,19,21,23,25,27,29,31,33-octadecaene
Names & synonyms
DINAPHTHO(3,2,1-FG:1',2',3'-ST)PENTACENEDinaphtho[3,2,1-fg:1',2',3'-st]pentacene31541-10-3DTXSID60185443
Database identifiers
- CAS
31541-10-3- PubChem CID
- 35840
- DTXSID
DTXSID60185443- Nikkaji
- J1.615.975A
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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