Basic information
- CAS
192-47-2- Standard SMILES
c1ccc2c(c1)cc1c3ccccc3c3cc4ccccc4c4ccc2c1c43- InChIKey
LMNAZSSKDBUVFA-UHFFFAOYSA-N- Molecular formula
- C28H16
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12520051
Overview
Dibenzo[h,rst]pentaphene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- Dibenzo[h,rst]pentaphene
- IUPAC
- heptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(26),2,4,6,8,10,12,14,16(28),17,19(27),20,22,24-tetradecaene
- English name
- DIBENZO[H,RST]PENTAPHENE
- Molecular formula
- C28H16
- Molecular weight
- 352.43
Names & synonyms
Dibenzo[h,rst]pentaphene192-47-2Tribenzo(a,e,i)pyreneDIBENZO(H,RST)PENTAPHENE1,2:4,5:7,8-TribenzpyreneBRN 20583741,2:4,5:8,9-TribenzopyreneHO4PC996HFUNII-HO4PC996HFDTXSID60748314-05-00-02891 (Beilstein Handbook Reference)(1,2:4,5:7,8)-Tribenzopyrene
Show more names
DIBENZO(H,RST)PENTAPHENE [IARC]DIBENZO(H,RST)PENTAPHENE (IARC)RefChem:132835DTXCID8036029LMNAZSSKDBUVFA-UHFFFAOYSA-Nheptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(26),2,4,6,8,10,12,14,16(28),17,19(27),20,22,24-tetradecaenedibenzo[h,rst]pentaphaneSCHEMBL4852383
Database identifiers
- CAS
192-47-2- PubChem CID
- 9121
- DTXSID
DTXSID6074831- ChEBI
CHEBI:82441- UNII
- HO4PC996HF
- Nikkaji
- J34.842B
Properties
Computed structural properties
- XLogP
- 8.3
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 334.85 °C · 334.85°C
- Boiling point
- 421.04 °C · 421.04°C (rough estimate)
- Density
- 1.1919 · 1.1919 (estimate)
- refractive index
- 1.843 · 1.8430 (estimate)
- FDA UNII
- 4 PC996HF · HO4PC996HF
- IARC
- 3 · 3 (Vol. Sup 7, 92) 2010
- EPA Substance Registry System
- Dibenzo[h,rst]pentaphene (192-47-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
Dibenzo[h,rst]pentaphene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
2010
2005
Chemistry & industry
Suppliers4 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: Dibenzo[h,rst]pentaphene 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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