3,6-Di-tert-butylcarbazole - CAS 37500-95-1

Catalog:	BB023312
Product Name:	3,6-Di-tert-butylcarbazole
CAS:	37500-95-1
Synonyms:	3,6-ditert-butyl-9H-carbazole; 3,6-ditert-butyl-9H-carbazole

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Computed Properties

IUPAC Name:	3,6-ditert-butyl-9H-carbazole
Description:	3,6-Di-tert-butylcarbazole (CAS# 37500-95-1) is a useful research chemical.
Molecular Weight:	279.42
Molecular Formula:	C20H25N
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)NC3=C2C=C(C=C3)C(C)(C)C
InChI:	InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3
InChI Key:	OYFFSPILVQLRQA-UHFFFAOYSA-N
Boiling Point:	424.2±14.0 °C / 760 mmHg
Melting Point:	228-233 °C
Purity:	98 %
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD03425849
LogP:	5.91610

Publication Number	Title	Priority Date
WO-2021043859-A1	Thermoplastic molding compositions that resist heat	20190905
US-2021066620-A1	Organic electroluminescence device and polycyclic compound for organic electroluminescence device	20190903
WO-2021036140-A1	Electroluminescent material, preparation method of electroluminescent material and light-emitting device	20190828
US-2021151690-A1	Hole transporting material, method of manufacturing same and organic electroluminescent device	20190813
WO-2021029463-A1	Organic material and organic light emitting diode comprising same	20190812

PMID	Publication Date	Title	Journal
22220716	20120116	Bis-cyclometalated iridium(III) complexes bearing ancillary guanidinate ligands. Synthesis, structure, and highly efficient electroluminescence	Inorganic chemistry
21465585	20110502	Tuning main group redox chemistry through steric loading: subvalent Group 13 metal complexes of carbazolyl ligands	Chemistry (Weinheim an der Bergstrasse, Germany)
20235549	20100408	Aromatic fumaronitrile core-based donor-linker-acceptor-linker-donor (D-pi-A-pi-D) compounds: synthesis and photophysical properties	The journal of physical chemistry. A
20449357	20100314	Morphologically and electrochemically stable bipolar host for efficient green electrophosphorescence	Physical chemistry chemical physics : PCCP
12720449	20030507	Ruthenium(II) dendrimers containing carbazole-based chromophores as branches	Journal of the American Chemical Society

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Related Functional Groups

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GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.198699802
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	279.198699802
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.7