2-[2-[[8,22-Bis(2-butyloctyl)-23-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
기본 정보
- CAS
2668341-40-8- 표준 SMILES
CCCCCCC(CCCC)Cc1c(C=C2C(=O)c3cc(F)c(F)cc3C2=C(C#N)C#N)sc2c1sc1c3c4nsnc4c4c5sc6c(CC(CCCC)CCCCCC)c(C=C7C(=O)c8cc(F)c(F)cc8C7=C(C#N)C#N)sc6c5n(CC(CC)CCCC)c4c3n(CC(CC)CCCC)c21- InChIKey
FEYTYIZASAKNCE-UHFFFAOYSA-N- 분자식
- C84H90F4N8O2S5
- 평균 분자량
- 1,480 g/mol
이름 및 식별자
- 우선 이름
- 2-[2-[[8,22-Bis(2-butyloctyl)-23-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
- IUPAC
- 2-[2-[[8,22-bis(2-butyloctyl)-23-[[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetrazaoctacyclo[16.9.0.02,12.04,11.05,9.013,17.019,26.021,25]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
- 영어명
- L8-BO
- 분자식
- C84H90F4N8O2S5
- 분자량
- 1479.99
이름 및 동의어
2668341-40-8s67532,2'-(((3,9-Bis(2-butyloctyl)-12,13-bis(2-ethylhexyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methaneylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrileL8-BO2,2'-[[3,9-Bis(2-butyloctyl)-12,13-bis(2-ethylhexyl)-12,13-dihydrobisthieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole-2,10-diyl]bis[methylidyne(5,6-difluoro-3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]I806412,2'-(((3,9-Bis(2-butyloctyl)-12,13-bis(2-ethylhexyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrileL8-BO-EH-4F
데이터베이스 식별자
- CAS
2668341-40-8
물성
구조 계산 물성
- XLogP
- 27.4
- 극성 표면적
- 306 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 34
- 무거운 원자 수
- 103
- 형식 전하
- 0
- 복잡도
- 3,070
물리화학적 성질
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.34 · -1.34±0.30(Predicted)
화학 및 산업
공급사22 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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