SpectraBase Spectrum ID |
8UUC2hZFZ7h |
Name |
4-[4-butyl-2-[4-butyl-5-[4-(N-phenylanilino)phenyl]thiazol-2-yl]thiazol-5-yl]-N,N-diphenyl-aniline |
Appearance |
Light yellow solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
766.316389845 u |
Formula |
C50H46N4S2 |
InChI |
InChI=1S/C50H46N4S2/c1-3-5-27-45-47(37-29-33-43(34-30-37)53(39-19-11-7-12-20-39)40-21-13-8-14-22-40)55-49(51-45)50-52-46(28-6-4-2)48(56-50)38-31-35-44(36-32-38)54(41-23-15-9-16-24-41)42-25-17-10-18-26-42/h7-26,29-36H,3-6,27-28H2,1-2H3 |
InChIKey |
HZGFHLQIEVPLSA-UHFFFAOYSA-N |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/jo302706t |
Molecular Weight |
767.066 g/mol |
Quality |
11 |
SMILES |
C=1(SC(=NC1CCCC)C=1SC(=C(N1)CCCC)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1 |
SPLASH |
splash10-014i-0400000900-ef047d929bfda93f9429 |
Source of Spectrum |
JOC-78-SM21-2TPA2TZ (DOI: 10.1021/jo302706t) |
Wiley ID |
1912383 |