Rubicene
Basic information
- CAS
197-61-5- Standard SMILES
c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54- InChIKey
FMKFBRKHHLWKDB-UHFFFAOYSA-N- Molecular formula
- C26H14
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10955045
Overview
Rubicene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- Rubicene
- IUPAC
- rubicene
- English name
- Rubicene
- Molecular formula
- C26H14
- Molecular weight
- 326.39
Names & synonyms
Rubicene197-61-5Rubicene-rubicenUNII-J3I9M3715FJ3I9M3715FEINECS 205-899-5NSC 87524NSC-87524CHEBI:33095DTXSID00173364RefChem:180176
Show more names
Rubicene,98%RUBICENE 98%BENZO(A)INDENO(1,2,3-HI)ACEANTHRYLENE
DTXCID8095855205-899-5FMKFBRKHHLWKDB-UHFFFAOYSA-NNSC87524SCHEMBL26985SCHEMBL18221934SCHEMBL23684938SCHEMBL29562533
Database identifiers
- CAS
197-61-5- PubChem CID
- 67454
- DTXSID
DTXSID00173364- ChEBI
CHEBI:33095- UNII
- J3I9M3715F
- EC Number
- 205-899-5
- Nikkaji
- J193.674C
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Experimental & physicochemical properties
PolymersPolycyclic aromatic hydrocarbon
Physicochemical properties
- Melting point
- 305 °C · 305 °C
- Boiling point
- 399.43 °C · 399.43°C (rough estimate)
- Density
- 1.2006 · 1.2006 (estimate)
- refractive index
- 1.843 · 1.8430 (estimate)
- form
- Powder
- color
- Red
- FDA UNII
- 3 I9M3715F · J3I9M3715F
- Safety Statements
- 24 · 24/25
- HS Code
- 29029000 · 29029000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29029000
- safety_code
- 24/25
Chemistry & industry
Additional notes
DefinitionChEBI: Rubicene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…