기본 정보
- CAS
62609-83-0- 표준 SMILES
Cc1ccc(-c2cc(C=CC=C3N(C)c4ccccc4C3(C)C)[n+](N(C)c3ccccc3)c(-c3ccc(C)cc3)c2)cc1.[I-]- InChIKey
PALXKGOCUCYQEV-UHFFFAOYSA-M- 분자식
- C40H40IN3
- 평균 분자량
- 689.7 g/mol
- 단동위원소 질량
- 689.2267
이름 및 식별자
- 우선 이름
- 3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1)
- IUPAC
- N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide
이름 및 동의어
EINECS 263-630-762609-83-03H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propenyl)-1,3,3-trimethyl-, iodide3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1)3H-Indolium, 2-[3-[4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene]-1-propenyl]-1,3,3-trimethyl-, iodideDTXSID208864893H-Indolium, 2-[3-[4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene]-1-propen-1-yl]-1,3,3-trimethyl-, iodide (1:1)RefChem:95804DTXCID401025813PALXKGOCUCYQEV-UHFFFAOYSA-M1,3,3-Trimethyl-2-(3-(1-methylanilino-4,6-di-p-tolyl-1H-pyridin-2-ylidene)prop-1-enyl)-3H-indolium iodide
데이터베이스 식별자
- CAS
62609-83-0- PubChem CID
- 112504
- EC Number
- 263-630-7
물성
구조 계산 물성
- 극성 표면적
- 10.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 945
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Indolium, 2-[3-[4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene]-1-propen-1-yl]-1,3,3-trimethyl-, iodide (1:1): INACTIVE
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