CAS 58328-31-7 4,4'-Bis(9H-carbazol-9-yl)biphenyl (HCID 11248716)

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Basic information

CAS: 58328-31-7
Standard SMILES: c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIKey: VFUDMQLBKNMONU-UHFFFAOYSA-N
Molecular formula: C36H24N2
Average molar mass: 484.6 g/mol
Monoisotopic mass: 484.19394877

Names & identifiers

Preferred name: 4,4'-Bis(9H-carbazol-9-yl)biphenyl
IUPAC: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
English name: 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl
Molecular formula: C36H24N2
Molecular weight: 484.59

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 58328-31-7
PubChem CID: 11248716
DTXSID: DTXSID30460032

Properties

Computed structural properties

XLogP: 9.7
Topological polar surface area: 9.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 38
Formal charge: 0
Complexity: 683

Physicochemical properties

Melting point: 281 · 281-285 °C
Boiling point: 700.8 · 700.8±60.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: slightly sol. in Tetrahydrofuran
form: powder to crystal
color: White to Almost white
biological source: mouse
λmax: 319 nm · 319nm(CH2Cl2)(lit.)
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 DataBase Reference: 58328 · 58328-31-7(CAS DataBase Reference)
UNSPSC Code: 12352203 · 12352203

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-36/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 3 items

DescriptionAs 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]

UsesOrganic Semiconductor Laser Materials

General DescriptionTGA/DSC lot specific traces available upon request