Naphtho(1,2,3,4-rst)pentaphene
Basic information
- CAS
191-20-8- Standard SMILES
c1ccc2c(c1)cc1ccc3cc4ccccc4c4c5ccccc5c2c1c34- InChIKey
YCBYJTZVAGWAGC-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Names & identifiers
- Preferred name
- Naphtho(1,2,3,4-rst)pentaphene
- IUPAC
- heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
Names & synonyms
NAPHTHO(1,2,3,4-RST)PENTAPHENE191-20-8Naphtho[1,2,3,4-rst]pentapheneDTXSID40172614RefChem:365403DTXCID7095105tribenzo(b,e,h)pyreneSCHEMBL4853487
Database identifiers
- CAS
191-20-8- PubChem CID
- 9116
- DTXSID
DTXSID40172614- Nikkaji
- J610.625K
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
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Related reactions
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Compound notes
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