| SpectraBase Spectrum ID |
7fPleXoBwd4 |
| Name |
2,7,22-tris(t-Butyl)-6,9 : 3,30 : 20,23-trii(epi)-thio-10,13 ; 16, 19 ; 26,29-triimino-1,8,21-triaza[30]annulene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H42N6S3 |
| InChI |
InChI=1S/C39H42N6S3/c1-37(2,3)31-28-19-15-24-14-18-27(42-24)36-45-33(39(7,8)9)30(48-36)21-20-29-32(38(4,5)6)44-35(47-29)26-17-13-23(41-26)11-10-22-12-16-25(40-22)34(43-31)46-28/h10-21,40-42H,1-9H3/b11-10-,19-15-,21-20-,22-10-,23-11-,24-15-,28-19-,29-20-,30-21-,34-25-,35-26-,36-27- |
| InChIKey |
BTQJKVVTIHEUIU-LADCGJBRSA-N |
| Molecular Weight |
690.987 g/mol |
| SMILES |
[nH]1c2ccc1-c1nc(c(\C=C/c3c(nc(-c4ccc(\C=C/c5sc(-c6ccc(\C=C/2)[nH]6)nc5C(C)(C)C)[nH]4)s3)C(C)(C)C)s1)C(C)(C)C |
| SPLASH |
splash10-0006-0001009000-901cb9d7ef6d5a1cfc28 |
| Source of Spectrum |
K1-2000-2455-11 |
| Synonyms |
4,9,24-tritert-butyl-33,35,36-trithia-3,10,20,31,32,34-hexaazaheptacyclo[26.2.1.1(2,5).1(8,11).1(12,15).1(18,21).1(22,25)]hexatriaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene |
| Wiley ID |
750058 |
![2,7,22-tris(t-Butyl)-6,9 : 3,30 : 20,23-trii(epi)-thio-10,13 ; 16, 19 ; 26,29-triimino-1,8,21-triaza[30]annulene](/api/spectrum/7fPleXoBwd4/structure.png?h=300&w=458 "2,7,22-tris(t-Butyl)-6,9 : 3,30 : 20,23-trii(epi)-thio-10,13 ; 16, 19 ; 26,29-triimino-1,8,21-triaza[30]annulene")
