CID 58501551
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Basic information
- CAS
1229226-27-0- Standard SMILES
CC1(C)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2-c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc21- InChIKey
FHTZRPKLKQSNLX-UHFFFAOYSA-N- Molecular formula
- C47H36N2
- Average molar mass
- 628.8 g/mol
- Monoisotopic mass
- 628.28784916
Names & identifiers
- Preferred name
- CID 58501551
- IUPAC
- 9,9-dimethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylfluorene-3,6-diamine
- English name
- DMFL-NPB , N,N'-Bis(naphthalen-1-yl)- N,N'-bis(phenyl)-
- Molecular formula
- C47H36N2
- Molecular weight
- 628.8
Names & synonyms
1229226-27-09,9-Dimethyl-N3,N6-di(naphthalen-1-yl)-N3,N6-diphenyl-9H-fluorene-3,6-diamineDMFL-NPB , N,N'-Bis(naphthalen-1-yl)- N,N'-bis(phenyl)-DMFL-NPB , N,N/'-Bis(naphthalen-1-yl)- N,N/'-bis(phenyl)-9,9-dimethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylfluorene-3,6-diamineSCHEMBL11910212DMFL-NPBN,N'-Bis(naphthalen-1-yl)- N,N'-bis(phenyl)-9,9-Dimethyl-N3,N6-di-1-naphthalenyl-N3,N6-diphenyl-9H-fluorene-3,6-diamineN,N'-Bis(naphthalen-1-yl)-N,N'-bis(phenyl)-2,7-diamino-9,9-dimethyl-fluorene9H-Fluorene-3,6-diamine, 9,9-dimethyl-N3,N6-di-1-naphthalenyl-N3,N6-diphenyl-N,N' -Bis(naphthalen-1-yl)-N,N' -bis(phenyl)-2,7-diamino-9,9-dimethyl-fluorene
Database identifiers
- CAS
1229226-27-0- PubChem CID
- 58501551
Properties
Computed structural propertiesFilling in
- XLogP
- 13.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 988
Physicochemical properties
- Density
- 1.216 · 1.216±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.231 · -0.231±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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