기본 정보
- CAS
72828-90-1- 표준 SMILES
CCN(CC)c1ccc(C(=C2C(c3ccccc3)=[N+](C)c3ccccc32)c2ccccc2Cl)cc1.[Cl-]- InChIKey
HIRNHRKPJDWKSO-UHFFFAOYSA-M- 분자식
- C32H30Cl2N2
- 평균 분자량
- 513.5 g/mol
- 단동위원소 질량
- 512.1786044
이름 및 식별자
- 우선 이름
- Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
- IUPAC
- 4-[(2-chlorophenyl)-(1-methyl-2-phenylindol-1-ium-3-ylidene)methyl]-N,N-diethylaniline chloride
이름 및 동의어
72828-90-1Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chlorideDTXSID30887801EINECS 276-894-3Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chlorideRefChem:138109DTXCID501027086Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1)Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)N-(4-((2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methyl)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium chlorideSCHEMBL4655784HIRNHRKPJDWKSO-UHFFFAOYSA-M
이름 더 보기
NS00090564
물성
구조 계산 물성
- 극성 표면적
- 6.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 766
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