Anthra[2,3-a]coronene

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Basic information

CAS: 5869-17-0
Standard SMILES: c1ccc2cc3cc4c(cc3cc2c1)c1ccc2ccc3ccc5ccc6ccc4c4c6c5c3c2c14
InChIKey: MEJKLMDIDWGEPF-UHFFFAOYSA-N
Molecular formula: C36H18
Average molar mass: 450.5 g/mol
Monoisotopic mass: 450.14085057

Names & identifiers

Preferred name: Anthra[2,3-a]coronene
IUPAC: decacyclo[26.6.2.02,15.04,13.06,11.016,33.019,32.022,31.025,30.029,34]hexatriaconta-1(34),2,4,6,8,10,12,14,16(33),17,19(32),20,22(31),23,25(30),26,28,35-octadecaene
English name: Anthraceno[2.3-a]coronene
Molecular formula: C36H18
Molecular weight: 450.53

Names & synonyms

Anthra[2,3-a]coronene5869-17-0DTXSID90348322Anthra(2,3-a)coroneneRefChem:319706DTXCID80299394MEJKLMDIDWGEPF-UHFFFAOYSA-NANTHRACENO[2.3-A]CORONENEdecacyclo[26.6.2.02,15.04,13.06,11.016,33.019,32.022,31.025,30.029,34]hexatriaconta-1(34),2,4,6,8,10,12,14,16(33),17,19(32),20,22(31),23,25(30),26,28,35-octadecaeneAnthraceno[2,3-a]coroneneSCHEMBL4852168

Database identifiers

CAS: 5869-17-0
PubChem CID: 635065
DTXSID: DTXSID90348322

Properties

Computed structural properties

XLogP: 11
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 36
Formal charge: 0
Complexity: 816

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Anthra[2,3-a]coronene-9,16-dione

Related reactions

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Compound notes

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