CAS Registry Number: 836671-27-3

Name:

Triphenylene, 2,​3,​6,​7,​10,​11-​hexaphenyl-
2,​3,​6,​7,​10,​11-​Hexaphenyltriphenyle​ne; HPT 

Chemical Formula: C54H36
Exact Mass: 684.28
Molecular Weight: 684.86
m/z: 684.28 (100.0%), 685.29 (58.8%), 686.29 (17.0%), 687.29 (3.2%)
Elemental Analysis: C, 94.70; H, 5.30

InChI: InChI=1S/C54H36/c1-7-19-37(20-8-1)43-31-49-50(32-44(43)38-21-9-2-10-22-38)52-34-46(40-25-13-4-14-26-40)48(42-29-17-6-18-30-42)36-54(52)53-35-47(41-27-15-5-16-28-41)45(33-51(49)53)39-23-11-3-12-24-39/h1-36H
InChIKey: RSWOJEDGRFCGFR-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Specification

98%

1. (1) Kwong, Raymond; WO 2006130598 A2 2006 CAPLUS