4,4'-Bis(9H-carbazol-9-yl)biphenyl

HCID 11248716CAS 58328-31-7

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Grundinformationen

Standard-SMILES: c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIKey: VFUDMQLBKNMONU-UHFFFAOYSA-N
Summenformel: C36H24N2
Durchschnittliche Molmasse: 484,6 g/mol
Monoisotopische Masse: 484,19394877

Namen und Bezeichner

Bevorzugter Name: 4,4'-Bis(9H-carbazol-9-yl)biphenyl
IUPAC: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
Englischer Name: 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl
Summenformel: C36H24N2
Molmasse: 484.59

Namen und Synonyme

4,4'-Bis(9H-carbazol-9-yl)biphenylRefChem:506564627-757-558328-31-74,4'-Bis(N-carbazolyl)-1,1'-biphenyl4,4'-Di(9H-carbazol-9-yl)-1,1'-biphenyl4,4'-bis(carbazol-9-yl)biphenyl9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole4,4-Di(9H-carbazol-9-yl)-1,1-biphenylCBP4,4'-bis(n-carbazolyl)biphenylC36H24N2

Weitere Namen anzeigen

CPBDCBP4,4′-Bis(carbazol-9-yl)biphenylRSTSKAT3ARSTS1LGALSEIF4E1

MFCD000934174,4'-bis(9-carbazolyl)biphenyl4,4'-di(9H-carbazol-9-yl)biphenylDS-3396AC-335804,4/'-Bis(N-carbazolyl)-1,1/'-biphenyl4,4'-Bis(9-carbazolyl)-1,1'-biphenyl4,4 inverted exclamation mark -Bis(N-carbazolyl)biphenyl

Datenbank-Bezeichner

CAS: 58328-31-7
PubChem CID: 11248716
DTXSID: DTXSID30460032
EC Number: 627-757-5
Nikkaji: J1.003.379I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 9,7
Polarare Oberfläche (TPSA): 9,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 3
Schwere Atome: 38
Formalladung: 0
Komplexität: 683

Physikochemische Eigenschaften

Schmelzpunkt: 281 · 281-285 °C
Siedepunkt: 700.8 · 700.8±60.0 °C(Predicted)
Dichte: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: slightly sol. in Tetrahydrofuran
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Biologische Quelle: mouse
InChI: InChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H
InChIKey: VFUDMQLBKNMONU-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(N3C4=C(C=CC=C4)C4=C3C=CC=C4)C=C2)=CC=C(N2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1
CAS Datenbank: 58328 · 58328-31-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-36/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

BeschreibungAs Glasses of a common OLED host material, 4,4′-bis(N-carbazolyl)-1,1′-biphenyl(CBP) were prepared by vapor deposition at various substrate temperatures. It can be doped with molybdenum oxide (MoO3) in the hole transport material.[1]

VerwendenOrganic Semiconductor Laser Materials