Basic information
- CAS
190-09-0- Standard SMILES
c1cc2ccc3cc4cc5cc6cc7c(cc6cc5cc4c4ccc(c1)c2c34)cc1ccc2cccc3ccc7c1c23- InChIKey
IQAQPYAQWJUAGG-UHFFFAOYSA-N- Molecular formula
- C42H22
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.1721507
Names & identifiers
- Preferred name
- Dinaphtho(2,1,8-c,d,a:2',1',8'-nop)heptacene
- IUPAC
- undecacyclo[30.6.2.210,13.02,27.04,25.06,23.08,21.011,20.012,17.029,39.036,40]dotetraconta-1(39),2,4,6(23),7,9,11(20),12,14,16,18,21,24,26,28,30,32(40),33,35,37,41-henicosaene
Names & synonyms
Dinaphtho(2,1,8-c,d,a:2',1',8'-nop)heptacene190-09-0DTXSID50940528Dinaphtho-[2,1,8-c,d,a:2',1',8'-nop]heptaceneDinaphtho[2,1,8-c1d1a:2',1',8'-nop]heptaceneDinaphtho[2,1,8-nop:2',1',8'-c_1_d_1_a]heptacene
Database identifiers
- CAS
190-09-0- PubChem CID
- 9113
- DTXSID
DTXSID50940528- Nikkaji
- J1.557.838F
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 961
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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