CAS Registry Number: 349666-25-7

Name:

Pyrene, 1,​1',​1''-​(1,​3,​5-​benzenetriyl)​tris-
1,​3,​5-​Tris(1-​pyrenyl)​benzene 

Deleted CAS Registry Numbers: 475460-​83-​4, 862853-​35-​8

Chemical Formula: C54H30
Exact Mass: 678.23
Molecular Weight: 678.82
m/z: 678.23 (100.0%), 679.24 (58.7%), 680.24 (16.9%), 681.24 (3.1%)
Elemental Analysis: C, 95.55; H, 4.45

InChI: InChI=1S/C54H30/c1-4-31-10-13-37-16-22-43(46-25-19-34(7-1)49(31)52(37)46)40-28-41(44-23-17-38-14-11-32-5-2-8-35-20-26-47(44)53(38)50(32)35)30-42(29-40)45-24-18-39-15-12-33-6-3-9-36-21-27-48(45)54(39)51(33)36/h1-30H
InChIKey: HDMYKJVSQIHZLM-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC(=CC(=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Specification

98%

1. (1) Suzuki, Koichi; Synthetic Metals 2004, V143(1), P89-96 CAPLUS
2. (2) Telitel, Sofia; Beilstein Journal of Organic Chemistry 2013, V9, P877-890, No. 101 CAPLUS
3. (3) Lee, Dong-Hwan; Organic Letters 2011, V13(2), P252-255 CAPLUS
4. (4) Kato, Tetsuya; US 20050064237 A1 2005 CAPLUS
5. (5) Igarashi, Tatsuya; JP 2002324677 A 2002 CAPLUS