Basic information
- CAS
2869-09-2- Standard SMILES
Cc1ccc2c(c1)c1cccc3ccc4c5ccccc5cc2c4c31- InChIKey
YBCLAXDVBPWLAK-UHFFFAOYSA-N- Molecular formula
- C25H16
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12520051
Names & identifiers
- Preferred name
- NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-
- IUPAC
- 5-methylhexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15(23),16,18,20-dodecaene
- English name
- 5-Methylnaphtho[1,2,3,4-def]chrysene
- Molecular weight
- 0
Names & synonyms
NAPHTHO(1,2,3,4-def)CHRYSENE, 5-METHYL-5-Methylnaphtho[1,2,3,4-def]chrysene2869-09-25-Methylnaphtho(1,2,3,4-def)chryseneBRN 25342492'-Methyl-1,2:4,5-dibenzopyrene5-methyldibenzo[f,pqr]tetrapheneDTXSID90182844YBCLAXDVBPWLAK-UHFFFAOYSA-N
Database identifiers
- CAS
2869-09-2- PubChem CID
- 17873
- DTXSID
DTXSID90182844- Nikkaji
- J34.576H
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 390.82 °C · 390.82°C (rough estimate)
- Density
- 1.1569 · 1.1569 (estimate)
- refractive index
- 1.843 · 1.8430 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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