Basic information
- CAS
191-13-9- Standard SMILES
c1ccc2c(c1)cc1ccc3cc4c5ccccc5cc5ccc6cc2c1c3c6c54- InChIKey
LNKHTYQPVMAJSF-UHFFFAOYSA-N- Molecular formula
- C30H16
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.12520051
Overview
Pyranthrene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- Pyranthrene
- IUPAC
- pyranthrene
- English name
- Pyranthrene
- Molecular formula
- C30H16
- Molecular weight
- 376.45
Names & synonyms
Pyranthrene191-13-91,2:7,8-Dibenzanthanthrene4QT2M2U8APEINECS 205-882-2CHEBI:33159DTXSID80172613RefChem:177435DTXCID2095104205-882-2UNII-4QT2M2U8APSCHEMBL27517
Show more names
Pyranthrene(Rri7526)tribenzo[ghi,m,pqr]picenebenzo[c]naphtho[3,2,1,8,7-rstuv]pentaphene
SCHEMBL194996SCHEMBL29562937LNKHTYQPVMAJSF-UHFFFAOYSA-NDB-221792NS00041484Q27115582
Database identifiers
- CAS
191-13-9- PubChem CID
- 67447
- DTXSID
DTXSID80172613- ChEBI
CHEBI:33159- UNII
- 4QT2M2U8AP
- EC Number
- 205-882-2
- Nikkaji
- J193.671I
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 440 °C · 440°C (rough estimate)
- Density
- 1.2125 · 1.2125 (estimate)
- refractive index
- 2.025 · 2.0250 (estimate)
- FDA UNII
- 4 QT2M2U8AP · 4QT2M2U8AP
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Pyranthrene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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