CAS 167218-30-6 N4,N4,N4'-Triphenyl-[1,1'-biphenyl]-4,4'-diamine (HCID 22013295)

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Basic information

CAS: 167218-30-6
Standard SMILES: c1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIKey: XHPBZHOZZVRDHL-UHFFFAOYSA-N
Molecular formula: C30H24N2
Average molar mass: 412.5 g/mol
Monoisotopic mass: 412.19394877

Names & identifiers

Preferred name: N4,N4,N4'-Triphenyl-[1,1'-biphenyl]-4,4'-diamine
IUPAC: N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
English name: N,N,N'-Triphenyl-4,4'-bianiline
Molecular formula: C30H24N2
Molecular weight: 412.52

Names & synonyms

167218-30-6N4,N4,N4'-Triphenyl-[1,1'-biphenyl]-4,4'-diamineN,N,N'-TRIPHENYL-4,4'-BIANILINEN,N,N'-TriphenylbenzidineN-phenyl-4-[4-(N-phenylanilino)phenyl]anilineMFCD17926476[1,1'-Biphenyl]-4,4'-diamine, N4,N4,N4'-triphenyl-N4,N4,N4'-TRIPHENYL-BIPHENYL-4,4'-DIAMINEN,N',N'-triphenylbenzidineSCHEMBL490556DTXSID10621487XHPBZHOZZVRDHL-UHFFFAOYSA-N

Show more names

N,N,N'-TriphenylbenzN,N,N′-Triphenylbenzidine, CAS 167218-30-6N,N,N'-Triphenyl-[1,1'-biphenyl]-4,4'-diamine[1,1'-Biphenyl]-4,4'-diaMine, N,N,N'-triphenyl-

AKOS0159986564-Diphenylamino-4'-phenylaminobiphenylCS-W009698SB66367N,N,N'-triphenyl-4,4'-diaminobiphenylDS-18161SY055350DB-064635

Database identifiers

CAS: 167218-30-6
PubChem CID: 22013295

Properties

Computed structural properties

XLogP: 8.3
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 495

Physicochemical properties

Melting point: 168 · 168-169℃
Boiling point: 593.9 · 593.9±43.0 °C(Predicted)
Density: 1.172 · 1.172
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 0.9 · 0.90±0.40(Predicted)
color: Light orange to Yellow to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2921.59 · 2921.59.8090

Safety & regulation

Safety data

hs_code: 2921.59.8090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313