기본 정보
- CAS
262607-24-9- 표준 SMILES
CN1C(=CC=C2C=C(C=CC3=[N+](C)c4ccccc4C3(C)C)COC2)C(C)(C)c2ccccc21.F[B-](F)(F)F- InChIKey
HOPRSXDJXPDBHQ-UHFFFAOYSA-N- 분자식
- C31H35BF4N2O
- 평균 분자량
- 538.4 g/mol
- 단동위원소 질량
- 538.2778566
이름 및 식별자
- 우선 이름
- 1,3,3-Trimethyl-2-(2-{5-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl}ethenyl)-3H-indol-1-ium tetrafluoroborate
- IUPAC
- 1,3,3-trimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-2H-pyran-5-ylidene]ethylidene]indole tetrafluoroborate
- 영어명
- 1,3,3-Trimethyl-2-((E)-2-[5-[(Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2H-pyran-3(6H)-yl]ethenyl)-3H-indolium tetrafluoroborate
- 분자식
- C31H35BF4N2O
- 분자량
- 538.43
이름 및 동의어
1,3,3-Trimethyl-2-(2-{5-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl}ethenyl)-3H-indol-1-ium tetrafluoroborate262607-24-9DTXSID607251863H-Indolium, 2-[2-[5-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (1:1)1,3,3-trimethyl-2-[2-[3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-2H-pyran-5-ylidene]ethylidene]indole;tetrafluoroborate1,3,3-Trimethyl-2-(2-{5-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl}ethen-1-yl)-3H-indol-1-ium tetrafluoridoborate(1-)1,3,3-trimethyl-2-((e)-2-(5-((z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene)-2h-pyran-3(6h)-yl)ethenyl)-3h-indolium tetrafluoroborate1,3,3-Trimethyl-2-((E)-2-[5-[(Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2H-pyran-3(6H)-yl]ethenyl)-3H-indolium tetrafluoroborate3H-INDOLIUM, 2-[2-[5-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-5,6-DIHYDRO-2H-PYRAN-3-YL]ETHENYL]-1,3,3-TRIMETHYL-, TETRAFLUOROBORATE(1-)
물성
구조 계산 물성
- 극성 표면적
- 15.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 908
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