Basic information
- CAS
385-14-8- Standard SMILES
c1ccc2c(c1)c1ccccc1c1c3cccc4ccc5cccc(c5c43)c21- InChIKey
PCFZQDQXEZJNAF-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Names & identifiers
- Preferred name
- Benzo(p)naphtho(1,8,7-ghi)chrysene
- IUPAC
- heptacyclo[14.10.2.02,15.03,8.09,14.020,28.023,27]octacosa-1(26),2(15),3,5,7,9,11,13,16,18,20(28),21,23(27),24-tetradecaene
- English name
- Benzo[b]naphtho[1,8,7-ghi]chrysene
- Molecular formula
- C28H16
- Molecular weight
- 352.43
Names & synonyms
BENZO(P)NAPHTHO(1,8,7-GHI)CHRYSENE385-14-8Benzo[p]naphtho[1,8,7-ghi]chryseneDTXSID70191818RefChem:326391DTXCID10114309BENZO[B]NAPHTHO[1,8,7-GHI]CHRYSENEheptacyclo[14.10.2.02,15.03,8.09,14.020,28.023,27]octacosa-1(26),2(15),3,5,7,9,11,13,16,18,20(28),21,23(27),24-tetradecaeneTribenzo[f,ij,no]tetrapheneSCHEMBL4850598DB-220172
Database identifiers
- CAS
385-14-8- PubChem CID
- 9798
- DTXSID
DTXSID70191818- Nikkaji
- J484.023B
Properties
Computed structural properties
- XLogP
- 8
- 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
Physicochemical properties
- Melting point
- 250 · 250-252 °C
- Boiling point
- 629.3 · 629.3±22.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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