기본 정보
- CAS
63665-91-8- 표준 SMILES
C[N+]1=C(C=Cc2c(-c3ccccc3)n(CCC#N)c3ccccc23)C(C)(C)c2cccnc21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
PBBNOYLMQQNWNI-UHFFFAOYSA-M- 분자식
- C36H34N4O3S
- 평균 분자량
- 602.7 g/mol
- 단동위원소 질량
- 602.23516213
이름 및 식별자
- 우선 이름
- 3H-Pyrrolo[2,3-b]pyridinium, 2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 4-methylbenzenesulfonate;3-[2-phenyl-3-[2-(1,3,3-trimethylpyrrolo[2,3-b]pyridin-1-ium-2-yl)ethenyl]indol-1-yl]propanenitrile
이름 및 동의어
63665-91-8EINECS 264-397-43H-Pyrrolo(2,3-b)pyridinium, 2-(2-(1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl)ethenyl)-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)3H-Pyrrolo(2,3-b)pyridinium, 2-(2-(1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl)ethenyl)-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)3H-Pyrrolo[2,3-b]pyridinium, 2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]ethenyl]-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)DTXSID90699763H-Pyrrolo[2,3-b]pyridinium, 2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1)RefChem:95830DTXCID90440392-(2-(1-(2-Cyanoethyl)-2-phenyl-1H-indol-3-yl)vinyl)-1,3,3-trimethyl-3H-pyrrolo(2,3-b)pyridinium toluene-p-sulphonate2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium toluene-p-sulphonatePBBNOYLMQQNWNI-UHFFFAOYSA-M
이름 더 보기
DB-216859
물성
구조 계산 물성
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,000
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Pyrrolo[2,3-b]pyridinium, 2-[2-[1-(2-cyanoethyl)-2-phenyl-1H-indol-3-yl]ethenyl]-1,3,3-trimethyl-, 4-methylbenzenesulfonate (1:1): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…