CAS Registry Number: 182507-83-1

Name:

[1,​1'-​Biphenyl]​-​4,​4'-​diamine, N4,​N4'-​di-​9-​phenanthrenyl-​N4,​N4'-​diphenyl-
[1,​1'-​Biphenyl]​-​4,​4'-​diamine, N,​N'-​di-​9-​phenanthrenyl-​N,​N'-​diphenyl- (9CI); 4,​4'-​Bis[N-​(9-​phenanthryl)​-​N-​phenylamino]​biphenyl; PAPB 

Chemical Formula: C52H36N2
Exact Mass: 688.29
Molecular Weight: 688.86
m/z: 688.29 (100.0%), 689.29 (56.7%), 690.29 (15.9%), 691.30 (2.9%)
Elemental Analysis: C, 90.67; H, 5.27; N, 4.07

InChI: InChI=1S/C52H36N2/c1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52/h1-36H
InChIKey: LBFXFIPIIMAZPK-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75)C8=CC9=CC=CC=C9C1=CC=CC=C18

Specification

98%

PCT Int. Appl. (2014), WO 2014073683 A1 20140515.

PCT Int. Appl. (2014), WO 2014017042 A1 20140130.