12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde

Y6-C8C12-2CHO · 12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2′′,3′′:4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-e:2′,3′-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde · Dithieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde, 12,13-dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyl- · 12,13-dihydro-12,13-dis (2-octyldodecyl-3,9-undecyl dithiopheno [2 ′, 3 ′: 4 ′, 5 ′] thiopheno [2 ′, 3 ′: 4,5] pyrrolo [3,2-e: 2 ′, 3 ′ - g] [2,1,3] benzothiadiazo-2,10- formaldehyde · 12-(nonadecan-9-yl)-13-(2-octyldodecyl)-3,9-diundecyl-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-dicarbaldehyde

https://huagongshe.com/ko/chemical/178919084

12,13-Dihydro-12,13-bis(2-octyldodecyl)-3,9-diundecyldithieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-e:2',3'-g][2,1,3]benzothiadiazole-2,10-dicarboxaldehyde 분자 구조식

식별자 및 물리적 특성

CAS No.	2599837-57-5
분자식	C82H130N4O2S5
평균 분자량	1,364.3 g/mol
SMILES	CCCCCCCCCCCc1c(C=O)sc2c1sc1c3c4nsnc4c4c5sc6c(CCCCCCCCCCC)c(C=O)sc6c5n(CC(CCCCCCCC)CCCCCCCCCC)c4c3n(CC(CCCCCCCC)CCCCCCCCCC)c21
InChIKey	DACYCKBNHBWGRY-UHFFFAOYSA-N

화학 및 물리적 성질

XLogP	35.4
극성 표면적	211
수소 결합 공여자 수	0
수소 결합 수용자 수	9
회전 가능 결합 수	58
무거운 원자 수	93
형식 전하	0
복잡도	1,810
끓는 점	1120.8±65.0 °C(Predicted)
밀도	1.12±0.1 g/cm3(Predicted)
저장 조건	2-8°C, stored under nitrogen
pKa(산도 계수)	-1.24±0.30(Predicted)
InChIKey	DACYCKBNHBWGRY-UHFFFAOYSA-N
SMILES	C(N1C2C3SC(C=O)=C(CCCCCCCCCCC)C=3SC=2C2C3=NSN=C3C3C4SC5C(CCCCCCCCCCC)=C(C=O)SC=5C=4N(CC(CCCCCCCC)CCCCCCCCCC)C=3C1=2)C(CCCCCCCC)CCCCCCCCCC

안전 및 규제

신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302