기본 정보
- CAS
2055812-55-8- 표준 SMILES
CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc4c(cc3-c3sc(-c5sc(C=O)cc5OCC(CC)CCCC)cc32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c3sc(C=O)cc3OCC(CC)CCCC)sc2-4)cc1- InChIKey
RGJYCYFHICSYAC-UHFFFAOYSA-N- 분자식
- C90H110O4S4
- 평균 분자량
- 1,384.1 g/mol
이름 및 식별자
- 우선 이름
- 4-(2-Ethylhexoxy)-5-[15-[3-(2-ethylhexoxy)-5-formylthiophen-2-yl]-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]thiophene-2-carbaldehyde
- IUPAC
- 4-(2-ethylhexoxy)-5-[15-[3-(2-ethylhexoxy)-5-formylthiophen-2-yl]-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]thiophene-2-carbaldehyde
- 영어명
- 5,5'-[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[4-[(2-ethylhexyl)oxy]-2-Thiophenecarboxaldehyde
- 분자식
- C90H110O4S4
- 분자량
- 1384.11
이름 및 동의어
IDTO262055812-55-8PM3475,5'-[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[4-[(2-ethylhexyl)oxy]-2-Thiophenecarboxaldehyde5,5'-[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[4-[(2-ethylhexyl)oxy]-2-Thiophenecarboxaldehyde2-Thiophenecarboxaldehyde, 5,5'-[4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl]bis[4-[(2-ethylhexyl)oxy]-3-((2-ethylhexyl)oxy)-5-(7-(3-((2-ethylhexyl)oxy)-4-formylcyclopenta-1,3-dien-1-yl)-4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophen-2-yl)thiophene-2-carbaldehyde
데이터베이스 식별자
- CAS
2055812-55-8
물성
구조 계산 물성
- XLogP
- 31.3
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 42
- 무거운 원자 수
- 98
- 형식 전하
- 0
- 복잡도
- 2,030
물리화학적 성질
- 밀도
- 1.109 · 1.109±0.06 g/cm3(Predicted)
화학 및 산업
공급사10 곳
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