Basic information
- CAS
139255-17-7- Standard SMILES
c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1- InChIKey
BLFVVZKSHYCRDR-UHFFFAOYSA-N- Molecular formula
- C44H32N2
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.25654902
Names & identifiers
- Preferred name
- N~4~,N~4'~-Di(naphthalen-2-yl)-N~4~,N~4'~-diphenyl(1,1'-biphenyl)-4,4'-diamine
- IUPAC
- N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
- English name
- N,N'-Bis(naphthalene-2-yl)-N,N'-bis(phenyl)benzidine
- Molecular formula
- C44H32N2
- Molecular weight
- 588.74
Names & synonyms
139255-17-7DTXSID20619330N~4~,N~4'~-Di(naphthalen-2-yl)-N~4~,N~4'~-diphenyl(1,1'-biphenyl)-4,4'-diamineN~4~,N~4'~-Di(naphthalen-2-yl)-N~4~,N~4'~-diphenyl[1,1'-biphenyl]-4,4'-diamineRefChem:1093464DTXCID30570084N4,N4'-Di(naphthalen-2-yl)-N4,N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamineN,N'-Di-2-naphthyl-N,N'-diphenylbenzidinebeta-NpbN-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-aminen,n'-bis(naphthalen-2-yl)-n,n'-bis(phenyl)-benzidineN,N'-Bis(naphthalene-2-yl)-N,N'-bis(phenyl)benzidine
Show more names
B-NPBΒ- NPBLT-E102α,β-NPBalpha,bate-NPBN,N'-Bis(naphthaleneN,N′-Bis(naphthalen-2-yl)-NN,N'-Bis(naphthalene-2-yl)-N
MFCD03093247[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-di-2-naphthalenyl-N4,N4'-diphenyl-beta-NPDN,N inverted exclamation marka-Di(2-naphthyl-N,N inverted exclamation marka-diphenyl)-1,1 inverted exclamation marka-biphenyl-4,4 inverted exclamation marka-diamineN,N'-Bis(naphthalen-2-yl)-N,N-bis(phenyl)benzidine;N4,N4'-Di(naphthalen-2-yl)-N4,N4'-diphenylbiphenyl-4,4'-diamine;N4,N4'-Di(naphthalen-2-yl)-N4,N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine;N,N-Di-[(2-naphthalenyl)-N,N'-diphenyl]-1,1'-biphenyl)-4,4'-diamine-NPBSCHEMBL76667SCHEMBL29356134
Database identifiers
- CAS
139255-17-7- PubChem CID
- 21881245
- DTXSID
DTXSID20619330- Nikkaji
- J1.314.528H
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 829
Physicochemical properties
- Melting point
- 174 · 174~176°C
- Boiling point
- 772.5 · 772.5±53.0 °C(Predicted)
- Density
- 1.213 · 1.213
- storage temp.
- 2 · 2-8°C
- pka
- -0.08 · -0.08±0.50(Predicted)
- form
- powder
- color
- White to Orange to Green
- InChIKey
- BLFVVZKSHYCRDR-UHFFFAOYSA-N
- SMILES
- c1ccc(cc1)N(c2ccc(cc2)-c3ccc(cc3)N(c4ccccc4)c5ccc6ccccc6c5)c7ccc8ccccc8c7
- CAS DataBase Reference
- 139255 · 139255-17-7
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- WGK Germany
- 3 · 3
- HS Code
- 2921.59 · 2921.59.8090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2921.59.8090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesUsed in organic electronic light emitting devices.
Upstream & downstream products
Upstream raw materials
Suppliers92 total
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Related reactions
1 records
Compound notes
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