Pentaphene
Basic information
- CAS
222-93-5- Standard SMILES
c1ccc2cc3c(ccc4cc5ccccc5cc43)cc2c1- InChIKey
JQQSUOJIMKJQHS-UHFFFAOYSA-N- Molecular formula
- C22H14
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10955045
Overview
Pentaphene is an ortho-fused polycyclic arene.
Names & identifiers
- Preferred name
- Pentaphene
- IUPAC
- pentaphene
- English name
- Pentaphene
- Molecular formula
- C22H14
- Molecular weight
- 278.35
Names & synonyms
PENTAPHENE222-93-52,3:6,7-DibenzphenanthreneUNII-IF94R180Q0IF94R180Q0dibenzo[b,h]phenanthreneEINECS 205-927-6DIBENZO(B,H)PHENANTHRENECHEBI:33147DTXSID901767432,3:6,7-DIBENZOPHENANTHRENE2,3:6,7-DIBENZPHENANTHRENE [MI]
Show more names
RefChem:171450DTXCID5099234205-927-6JQQSUOJIMKJQHS-UHFFFAOYSA-NPentaphenoMFCD00215866SCHEMBL23664SCHEMBL21464320
Database identifiers
- CAS
222-93-5- PubChem CID
- 519935
- DTXSID
DTXSID90176743- ChEBI
CHEBI:33147- UNII
- IF94R180Q0
- EC Number
- 205-927-6
- Nikkaji
- J221.827E
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 257 °C · 257°C
- Boiling point
- 356.16 °C · 356.16°C (rough estimate)
- Density
- 1.1489 · 1.1489 (estimate)
- refractive index
- 1.812 · 1.8120 (estimate)
- FDA UNII
- 94 R180Q0 · IF94R180Q0
Chemistry & industry
Additional notes
DefinitionChEBI: Pentaphene is an ortho-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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