Ethyl 2-[4-[11,25,39-tris[4-(3,7-dimethyloctyl)phenyl]-20,34-bis[4-(2-ethoxy-2-oxoethyl)phenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]phenyl]acetate
기본 정보
- CAS
1018967-72-0- 표준 SMILES
CCOC(=O)Cc1ccc(-c2cc3c4cc(-c5ccc(CCC(C)CCCC(C)C)cc5)cc5c6cc(-c7ccc(CC(=O)OCC)cc7)cc7c8cc(-c9ccc(CCC(C)CCCC(C)C)cc9)cc9c%10cc(-c%11ccc(CC(=O)OCC)cc%11)cc%11c%12cc(-c%13ccc(CCC(C)CCCC(C)C)cc%13)cc%13c(c2)c3c2c(c45)c(c67)c(c89)c(c%11%10)c2c%13%12)cc1- InChIKey
NBXGGBOWXGDLCW-UHFFFAOYSA-N- 분자식
- C120H120O6
- 평균 분자량
- 1,658.2 g/mol
- 단동위원소 질량
- 1,656.90849154
이름 및 식별자
- 우선 이름
- Ethyl 2-[4-[11,25,39-tris[4-(3,7-dimethyloctyl)phenyl]-20,34-bis[4-(2-ethoxy-2-oxoethyl)phenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]phenyl]acetate
- IUPAC
- ethyl 2-[4-[11,25,39-tris[4-(3,7-dimethyloctyl)phenyl]-20,34-bis[4-(2-ethoxy-2-oxoethyl)phenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]phenyl]acetate
- 영어명
- 2,8,14-Tris[4-(3,7-dimethyloctyl)phenyl]-5,11,17-tris(4’ethylacetatephenyl)-hexa-peri-hexabenzocoronene
- 분자식
- C120H120O6
- 분자량
- 1658.23
이름 및 동의어
1018967-72-0Ethyl 2-[4-[11,25,39-tris[4-(3,7-dimethyloctyl)phenyl]-20,34-bis[4-(2-ethoxy-2-oxoethyl)phenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl]phenyl]acetate2,8,14-Tris[4-(3,7-dimethyloctyl)phenyl]-5,11,17-tris(4'-ethylacetatephenyl)-hexa-peri-hexabenzocoro2,8,14-Tris[4-(3,7-dimethyloctyl)phenyl]-5,11,17-tris(4'ethylacetatephenyl)-hexa-peri-hexabenzocoronene4,4',4''-[5,11,17-Tris[4-(3,7-dimethyloctyl)phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene-2,8,14-triyl]tris-benzeneacetic Acid 1,1',1''-Triethyl Ester2,8,14-Tris[4-(3,7-dimethyloctyl)phenyl]-5,11,17-tris(4'-ethylacetatephenyl)-hexa-peri-hexabenzocoroneneTriethyl 2,2',2''-((5,11,17-tris(4-(3,7-dimethyloctyl)phenyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene-2,8,14-triyl)tris(benzene-4,1-diyl))triacetate
물성
구조 계산 물성
- XLogP
- 36.7
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 39
- 무거운 원자 수
- 126
- 형식 전하
- 0
- 복잡도
- 2,990
화학 및 산업
응용 분야
용도2,8,14-Tris[4-(3,7-dimethyloctyl)phenyl]-5,11,17-tris(4’ethylacetatephenyl)-hexa-peri-hexabenzocoronene is a polycyclic aromatic hydrocarbon used for the accurate detection in real-world environmenta l humidity.
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