Basic information
- CAS
72382-92-4- Standard SMILES
c1ccc2c(c1)cc1ccc3cc4ccccc4c4c5cc6c(cc5c2c1c34)c1c2ccccc2cc2ccc3cc4ccccc4c6c3c21- InChIKey
MRRUILGWVZWLSV-UHFFFAOYSA-N- Molecular formula
- C50H26
- Average molar mass
- 626.7 g/mol
- Monoisotopic mass
- 626.20345083
Names & identifiers
- Preferred name
- Tetranaphtho(3,2,1-de:1',2',3'-jk:3'',2'',1''-op:1''',2''',3'''-uv)pentacene
- IUPAC
- tridecacyclo[26.18.2.213,16.02,27.04,25.05,14.06,11.015,24.018,23.029,34.036,48.039,47.041,46]pentaconta-1(47),2(27),3,5(14),6,8,10,12,15(24),16,18,20,22,25,28(48),29,31,33,35,37,39,41,43,45,49-pentacosaene
Names & synonyms
72382-92-4Tetranaphtho(3,2,1-de:1',2',3'-jk:3'',2'',1''-op:1''',2''',3'''-uv)pentaceneTetranaphtho[3,2,1-de:1',2',3'-jk:3'',2'',1''-op:1''',2''',3'''-uv]pentaceneDTXSID00222689Tetranaphtho[3,2,1-de:1',2',3'-jk:3",2",1"-op:1''',2''',3'''-uv)pentaceneTetranaphtho(3,2,1-de:1',2',3'-jk:3'''',2'''',1''''-op:1''',2''',3'''-uv)pentacene
Database identifiers
- CAS
72382-92-4- PubChem CID
- 51572
- DTXSID
DTXSID00222689
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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