1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclopent-1-en-1-yl}ethenyl)-3H-indol-1-ium tetrafluoroborate
기본 정보
- CAS
246517-72-6- 표준 SMILES
CN1C(=CC=C2CCC(C=CC3=[N+](C)c4ccccc4C3(C)C)=C2c2ccccc2)C(C)(C)c2ccccc21.F[B-](F)(F)F- InChIKey
LMDKBJCTUWJMPL-UHFFFAOYSA-N- 분자식
- C37H39BF4N2
- 평균 분자량
- 598.5 g/mol
- 단동위원소 질량
- 598.3142421
이름 및 식별자
- 우선 이름
- 1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclopent-1-en-1-yl}ethenyl)-3H-indol-1-ium tetrafluoroborate
- IUPAC
- 1,3,3-trimethyl-2-[2-[2-phenyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]indole tetrafluoroborate
- 영어명
- 1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-3H-indolium tetrafluoroborate
- 분자식
- C37H39BF4N2
- 분자량
- 598.52
이름 및 동의어
246517-72-6DTXSID007248753H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (1:1)1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclopent-1-en-1-yl}ethen-1-yl)-3H-indol-1-ium tetrafluoridoborate(1-)1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclopent-1-en-1-yl}ethenyl)-3H-indol-1-ium tetrafluoroborate3H-INDOLIUM, 2-[2-[3-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOPENTEN-1-YL]ETHENYL]-1,3,3-TRIMETHYL-, TETRAFLUOROBORATE(1-)1,3,3-Trimethyl-2-((E)-2-(2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-3H-indolium tetrafluoroborate1,3,3-trimethyl-2-((e)-2-(2-phenyl-3-((e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene)-1-cyclopenten-1-yl)ethenyl)-3h-indolium tetrafluoroborate
물성
구조 계산 물성
- 극성 표면적
- 6.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,050
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