4,4'-Bis(N-carbazolyl)-1,1'-biphenyl CAS NO.58328-31-7

1. Introduction of4,4'-Bis(N-carbazolyl)-1,1'-biphenyl The 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl, with its CAS NO58328-31-7, is …

 1. Introduction of 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl

 

The 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl, with its CAS NO 58328-31-7, is a kind of Off-white powder. It has synonyms of Carbazole,9,9'-(4,4'-biphenylylene)di- (6CI);4,4'-Bis(N-carbazole)biphenyl;4,4'-Bis(N-carbazolyl)biphenyl;4,4'-Bis(carbazol-9-yl)biphenyl;4,4'-Biscarbazolylbiphenyl;4,4'-Di(N-carbazole)-1,1'-biphenyl;4,4'-Di(N-carbazolyl)biphenyl;4,4'-N,N'-Dicarbazolylbiphenyl;CBP (dye) and DCBP (chargetransfer agent).

 

2. Properties of 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl

 

 

(1) XLogP3-AA 9.7  (2) Rotatable Bond Count 3 (3) Exact Mass 484.193949
(4) MonoIsotopic Mass 484.193949  (5) Topological Polar Surface Area 9.9
(6) Heavy Atom Count 38 (7) Complexity 683 (8) Covalently-Bonded Unit Count 1
(9) Feature 3D Cation Count 2 (10) Feature 3D Ring Count 8 (11) Effective Rotor Count 3
(12) Conformer Sampling RMSD 0.8 (13) CID Conformer Count 3
 

3. Structure descriptors of 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl

 

IUPAC Name: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole

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

Canonical SMILES : C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=
CC=C86