Isoviolanthrene
Basic information
- CAS
4430-29-9- Standard SMILES
c1ccc2c(c1)Cc1ccc3c4ccc5c6c(ccc(c7ccc-2c1c37)c64)Cc1ccccc1-5- InChIKey
HKSRHNHDUAHAAT-UHFFFAOYSA-N- Molecular formula
- C34H20
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.15650064
Names & identifiers
- Preferred name
- Isoviolanthrene
- IUPAC
- nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6,8,10,14,17,19,21,23,25,28(32),29-hexadecaene
- English name
- Isoviolanthrene
- Molecular formula
- C34H20
- Molecular weight
- 428.52
Names & synonyms
Isoviolanthrene4430-29-9DTXSID20196116NSC 409897RefChem:150132DTXCID30118607Benzo[rst]phenanthro[10,1,2-cde]pentaphene,9,18-dihydro- (9CI)nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6,8,10,14,17,19,21,23,25,28(32),29-hexadecaeneIsoviolanthrenNSC409897SCHEMBL1545817SCHEMBL29712300
Show more names
9,18-Dihydrodinaphtho[1,2,3-cd:1',2',3'-lm]peryleneBenzo[rst]phenanthro[10,1,2-cde]pentaphene, 9,18-dihydro-
NSC-409897DB-2208139,18-Dihydrobenzo[rst]phenanthro[10,1,2-cde]pentapheneDinaphtho[1,3-cd:1',2',3'-lm]perylene, 9,18-dihydro-
Database identifiers
- CAS
4430-29-9- PubChem CID
- 138237
- DTXSID
DTXSID20196116- Nikkaji
- J8.724F
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 510 °C · 510 °C
- Boiling point
- 478.36 °C · 478.36°C (rough estimate)
- Density
- 0.853 · 0.8530 (rough estimate)
- refractive index
- 1.469 · 1.4690 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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