Basic information
- CAS
190-89-6- Standard SMILES
c1cc2ccc3ccc4ccc5c6c7cccc8ccc9ccc%10ccc(c%11c(c1)c2c3c4c5%11)c6c%10c9c87- InChIKey
ZDQCZXNQMUCAES-UHFFFAOYSA-N- Molecular formula
- C38H18
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.14085057
Names & identifiers
- Preferred name
- Dibenzo(jk,uv)dinaphtho(2,1,8,7-defg:2',1',8',7'-opqr)pentacene
- IUPAC
- undecacyclo[20.16.0.02,7.03,20.04,17.05,14.06,11.021,26.023,36.024,33.025,30]octatriaconta-1,3(20),4(17),5(14),6(11),7,9,12,15,18,21,23(36),24(33),25(30),26,28,31,34,37-nonadecaene
Names & synonyms
Dibenzo[jk,uv]dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentaceneDTXSID80940531190-89-6Dibenzo(jk,uv)dinaphtho(2,1,8,7-defg:2',1',8',7'-opqr)pentaceneRefChem:337232DTXCID701368993SCHEMBL5483516
Database identifiers
- CAS
190-89-6- PubChem CID
- 136011
- DTXSID
DTXSID80940531- Nikkaji
- J1.329.531J
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 903
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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