Basic information
- CAS
190-90-9- Standard SMILES
c1cc2ccc3cc4c5c(ccc6cc(c1)c2c3c65)c1ccc2ccc3ccc5cccc6c5c3c2c1c64- InChIKey
BFDWGMSRSWADKW-UHFFFAOYSA-N- Molecular formula
- C38H18
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.14085057
Names & identifiers
- Preferred name
- Benzo[rs]dinaphtho[2,1,8,7-klmn:3',2',1',8',7'-vwxyz]hexaphene
- IUPAC
- undecacyclo[19.15.1.124,28.02,7.03,20.04,17.05,14.06,11.025,37.026,35.027,32]octatriaconta-1(37),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24(38),25,27(32),28,30,33,35-nonadecaene
Names & synonyms
Benzo[rs]dinaphtho[2,1,8,7-klmn:3',2',1',8',7'-vwxyz]hexaphene190-90-9Benzo(rs)dinaphtho(2,1,8,7-klmn:3',2',1',8',7'-vwxyz)hexapheneSCHEMBL5474182DTXSID40940532
Database identifiers
- CAS
190-90-9- PubChem CID
- 136012
- DTXSID
DTXSID40940532
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 981
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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