DTS(PTTh2)2
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기본 정보
- CAS
1351374-94-1- 표준 SMILES
CCCCCCc1ccc(-c2ccc(-c3cnc(-c4cc5c(s4)-c4sc(-c6ncc(-c7ccc(-c8ccc(CCCCCC)s8)s7)c7nsnc67)cc4[Si]5(CC(CC)CCCC)CC(CC)CCCC)c4nsnc34)s2)s1- InChIKey
NOJURONZIGXBEP-UHFFFAOYSA-N- 분자식
- C62H72N6S8Si
- 평균 분자량
- 1,185.9 g/mol
- 단동위원소 질량
- 1,184.3353422
이름 및 식별자
- 우선 이름
- DTS(PTTh2)2
- IUPAC
- 4-[7,7-bis(2-ethylhexyl)-10-[7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
- 영어명
- 5,5′-Bis{[4-(7-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine}-3,3′-di-2-ethylhexylsilylene-2,2′-bithiophene
- 분자식
- C62H72N6S8Si
- 분자량
- 1185.88
이름 및 동의어
DTS(PTTh2)21351374-94-14,4'-(4,4-Bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(7-(5'-hexyl-[2,2'-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine)4,4'-[4,4-Bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl]bis[7-(5'-hexyl-[2,2'-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine]SCHEMBL158042485,5'-Bis((4-(7-hexylthiophen-2-yl)thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine)-3,3'-di-2-ethylhexylsilylene-2,2'-bithiopheneCS-04338545,5′-Bis{[4-(7-hexylthiophen-2-yl)thiophen-2-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine}-3,3′-di-2-ethylhexylsilylene-2,2′-bithiophene[1,2,5]Thiadiazolo[3,4-c]pyridine, 4,4'-[4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl]bis[7-(5'-hexyl[2,2'-bithiophen]-5-yl)-4,4′-[4,4-Bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b′]dithiophene-2,6-diyl]bis[7-(5′-hexyl-[2,2′-bithiophen]-5-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine]
데이터베이스 식별자
- CAS
1351374-94-1- PubChem CID
- 90225331
- Nikkaji
- J3.024.433H、J3.049.910G
물성
구조 계산 물성보충 중
- 극성 표면적
- 303 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 77
- 형식 전하
- 0
- 복잡도
- 1,670
물리화학적 성질
- 녹는점
- 208 · 208-213 °C
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 용해도
- chloroform: soluble(lit.)dichlorobenzene: soluble(lit.)
- 물리적 상태
- solid
- 산도 계수 (pKa)
- -2.33 · -2.33±0.50(Predicted)
화학 및 산업
응용 분야
용도Narrow band gap material for high-efficiency organic solar cells (OPVs) applicationOPV Device Structure: ITO/MoOx/DTS(PTTh2)2: PC70BM/AlJSC = 14.4 mA/cm2VOC = 0.78 VFF = 0.59PCE = 6.7%
일반 설명DTS(PTTh2)2 is a conjugating polymer with an absorption onset of 815 nm and a field effect hole mobility of ~ 0.1 cm2V-1s-1. It acts as a small donor molecule that can be used as an active layer in optoelectronic applications.
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