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2-[(2Z)-2-[[22-[(E)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-4,4,18,18-tetrakis(4-hexylphenyl)-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile

HCID 178677552
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2184266-44-0
표준 SMILES
CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)Oc3c(sc4c5c(sc34)-c3sc4cc(C=C6C(=O)c7cc(F)c(F)cc7C6=C(C#N)C#N)sc4c3C(c3ccc(CCCCCC)cc3)(c3ccc(CCCCCC)cc3)O5)-c3sc4cc(C=C5C(=O)c6cc(F)c(F)cc6C5=C(C#N)C#N)sc4c32)cc1
InChIKey
QPSUTBMJXUUOIC-YTMZJGCBSA-N
분자식
C94H76F4N4O4S6
평균 분자량
1,594 g/mol
단동위원소 질량
1,592.41269661

이름 및 식별자

우선 이름
2-[(2Z)-2-[[22-[(E)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-4,4,18,18-tetrakis(4-hexylphenyl)-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
IUPAC
2-[(2Z)-2-[[22-[(E)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-4,4,18,18-tetrakis(4-hexylphenyl)-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
영어명
PCE146
분자식
C94H76F4N4O4S6
분자량
1594.02

이름 및 동의어

2184266-44-0COI8DFICPCE146Propanedinitrile, 2,2'-[[4,4,11,11-tetrakis(4-hexylphenyl)-4,11-dihydrothieno[2',3':4,5]thieno[2,3-d]thieno[2'''',3'''':4''',5''']thieno[2''',3''':4'',5'']pyrano[2'',3'':4',5']thieno[2',3':4,5]thieno[3,2-b]pyran-2,9-diyl]bis[methylidyne(5,6-difluoro-3-oxo-1H-indene-2,1(3H)-diylidene)]]bis-

데이터베이스 식별자

CAS
2184266-44-0
PubChem CID
179000791

물성

구조 계산 물성

XLogP
28
극성 표면적
317 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
18
회전 가능 결합 수
26
무거운 원자 수
112
형식 전하
0
복잡도
3,370

물리화학적 성질

밀도
1.357 · 1.357±0.06 g/cm3(Predicted)
용해도
soluble (chloroform, CB and ODCB)
물리적 상태
solid
수용성
soluble (chloroform, CB and ODCB)
InChIKey
QPSUTBMJXUUOIC-YTMZJGCBSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
WGK 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도COi8DFIC or O6T-4F is a highly efficient, n-type, low-bandgap nonfullerene acceptor with strong NIR absorptionIn a recent study, COi8DFIC or O6T-4F was selected in a Tandem cell by computer assited design and gave a record PCE of 17.3% for fabricated organic solar cells.Tandem Cell Device performance:ITO/ZnO/PFN-Br/PBDB-T:F-M/M-PEDOT/ZnO/PTB7- Th:O6T-4F:PC71BM/MoO3/AgVoc=1.642 VJsc=14.35 mA/cm2FF=73.7% PCE=17.3%COi8DFIC or O6T-4F is frequently selected to blend with a narrow-bandgap donor material and another narrow bandgap acceptor material to fabricate ternary organic solar cells. The PTB7-Th:COi8DFIC:PC71BM ternary cells offered a PCE of 14.08%. By further adopting a post-annealing process, an outstanding PCE of 14.62% can be achieved. Furthermore, the device utilizing COi8DFIC exhibited a good thermal stability with PCEs over 13.5% in a wide temperature range (70-160 °C). Device structure:ITO/ZnO/PTB7-Th:COi8DFIC:PC71BM/MoO3/AgBefore annealingVoc=0.702 VJsc=27.74 mA/cm2FF=0.701PCE=13.65%After annealing at 80°CVoc=0.727 VJsc=27.39 mA/cm2FF=0.734PCE=14.62%

일반 설명COi8DFIC or O6T-4F is a highly efficient, n-type, low-bandgap nonfullerene acceptor with strong NIR absorption. In a recent study, COi8DFIC or O6T-4F was selected in a Tandem cell by computer assited design and gave a record PCE of 17.3% for fabricated organic solar cells.COi8DFIC or O6T-4F is frequently selected to blend with a narrow-bandgap donor material and another narrow bandgap acceptor material to fabricate ternary organic solar cells. The PTB7-Th:COi8DFIC:PC71BM ternary cells offered a PCE of 14.08%. By further adopting a post-annealing process, an outstanding PCE of 14.62% can be achieved. Furthermore, the device utilizing COi8DFIC exhibited a good thermal stability with PCEs over 13.5% in a wide temperature range (70–160 °C).

공급사18 곳

深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
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盖米科技(青岛)有限公司19524370118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
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杭州艾可思医药科技有限公司+86-0571-89301730 +86-18337276608 · [email protected]
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