기본 정보
- CAS
287194-09-6- 표준 SMILES
CN1C(=CC=C2CCCC(C=Cc3ccc4ccccc4[n+]3C)=C2Cl)CCc2ccccc21- InChIKey
XSOZUSVDJUJPQT-UHFFFAOYSA-N- 분자식
- C30H30ClN2+
- 평균 분자량
- 454 g/mol
- 단동위원소 질량
- 453.2097517
이름 및 식별자
- 우선 이름
- 2-(2-{2-Chloro-3-[2-(1-methyl-3,4-dihydroquinolin-2(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1-methylquinolin-1-ium
- IUPAC
- 2-[2-[2-chloro-3-[2-(1-methyl-3,4-dihydroquinolin-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1-methylquinolin-1-ium
- 영어명
- 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1-methyl-2H-quinolinylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-methyl-quinolinium
- 분자식
- C30H32ClN2+
- 분자량
- 456.04148
이름 및 동의어
287194-09-6DTXSID307028682-(2-{2-Chloro-3-[2-(1-methyl-3,4-dihydroquinolin-2(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1-methylquinolin-1-ium2-(2-{2-Chloro-3-[2-(1-methyl-3,4-dihydroquinolin-2(1H)-ylidene)ethylidene]cyclohex-1-en-1-yl}ethen-1-yl)-1-methylquinolin-1-ium2-(2-(2-Chloro-3-(2-(1-methylquinolidine-2-ylidene)ethylidene)cyclohex-1-enyl)vinyl)-1-methylquinoli2-[2-[2-chloro-3-[2-(1-methyl-3,4-dihydroquinolin-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-1-methylquinolin-1-ium2-[2-[2-Chloro-3-[2-(1,3-dihydro-1-methyl-2H-quinolinylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-methyl-quinolinium
데이터베이스 식별자
- CAS
287194-09-6- PubChem CID
- 53440864
- DTXSID
DTXSID30702868
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 7.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 1
- 복잡도
- 821
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